(2R)-N-[8-amino-6-(5-ethyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;3-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide;3-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide;trans-(1S,2S)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(5-ethyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C176H183N45O10 — CID 158011561

IUPAC(2R)-N-[8-amino-6-(5-ethyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;3-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide;3-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide;trans-(1S,2S)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(5-ethyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCCc1ccc(C)c(-c2cc3cc(NC(=O)C4C[C@H]4c4cnn(C)c4)ncc3c(N)n2)c1.CCc1ccc(C)c(-c2cc3cc(NC(=O)[C@H]4C[C@@H]4c4cnn(C)c4)ncc3c(N)n2)c1.Cc1ccc(C(=O)N(C)C)cc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1.Cc1ccc(C(=O)N(C)C)cc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)ncc2c(N)n1.Cc1ccc(C)c(-c2cc3cc(NC(=O)[C@@H]4C[C@H]4c4cnn(C)c4)ncc3c(N)n2)c1.Cc1ccc(C)c(-c2cc3cc(NC(=O)[C@H]4C[C@@H]4c4cnn(C)c4)ncc3c(N)n2)c1.Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(CCOCCN)c3)ncc2c(N)n1
InChIInChI=1S/2C26H27N7O2.C26H29N7O2.2C25H26N6O.2C24H24N6O/c2*1-14-5-6-15(26(35)32(2)3)7-18(14)22-8-16-9-23(28-12-21(16)24(27)30-22)31-25(34)20-10-19(20)17-11-29-33(4)13-17;1-16-4-2-3-5-19(16)23-10-17-11-24(29-14-22(17)25(28)31-23)32-26(34)21-12-20(21)18-13-30-33(15-18)7-9-35-8-6-27;2*1-4-15-6-5-14(2)18(7-15)22-8-16-9-23(27-12-21(16)24(26)29-22)30-25(32)20-10-19(20)17-11-28-31(3)13-17;2*1-13-4-5-14(2)17(6-13)21-7-15-8-22(26-11-20(15)23(25)28-21)29-24(31)19-9-18(19)16-10-27-30(3)12-16/h2*5-9,11-13,19-20H,10H2,1-4H3,(H2,27,30)(H,28,31,34);2-5,10-11,13-15,20-21H,6-9,12,27H2,1H3,(H2,28,31)(H,29,32,34);2*5-9,11-13,19-20H,4,10H2,1-3H3,(H2,26,29)(H,27,30,32);2*4-8,10-12,18-19H,9H2,1-3H3,(H2,25,28)(H,26,29,31)/t2*19-,20+;20-,21+;19-,20?;19-,20+;2*18-,19+/m1010110/s1
InChIKeyFEYHEHLGRVOXNS-FPAUPZKLSA-N
MW3088.70 g/mol
LogP26.23
Rot. Bonds37

About (2R)-N-[8-amino-6-(5-ethyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;3-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide;3-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide;trans-(1S,2S)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(5-ethyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

(2R)-N-[8-amino-6-(5-ethyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;3-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide;3-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide;trans-(1S,2S)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(5-ethyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 158011561) has the molecular formula C176H183N45O10 and a molecular weight of 3088.70 g/mol. Its IUPAC name is (2R)-N-[8-amino-6-(5-ethyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;3-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide;3-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide;trans-(1S,2S)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(5-ethyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[8-amino-6-(5-ethyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;3-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide;3-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide;trans-(1S,2S)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(5-ethyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID158011561
Molecular FormulaC176H183N45O10
Molecular Weight3088.70 g/mol
Exact Mass3086.52
IUPAC Name(2R)-N-[8-amino-6-(5-ethyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;3-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide;3-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide;trans-(1S,2S)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(5-ethyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCCc1ccc(C)c(-c2cc3cc(NC(=O)C4C[C@H]4c4cnn(C)c4)ncc3c(N)n2)c1.CCc1ccc(C)c(-c2cc3cc(NC(=O)[C@H]4C[C@@H]4c4cnn(C)c4)ncc3c(N)n2)c1.Cc1ccc(C(=O)N(C)C)cc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1.Cc1ccc(C(=O)N(C)C)cc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)ncc2c(N)n1.Cc1ccc(C)c(-c2cc3cc(NC(=O)[C@@H]4C[C@H]4c4cnn(C)c4)ncc3c(N)n2)c1.Cc1ccc(C)c(-c2cc3cc(NC(=O)[C@H]4C[C@@H]4c4cnn(C)c4)ncc3c(N)n2)c1.Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(CCOCCN)c3)ncc2c(N)n1
InChIInChI=1S/2C26H27N7O2.C26H29N7O2.2C25H26N6O.2C24H24N6O/c2*1-14-5-6-15(26(35)32(2)3)7-18(14)22-8-16-9-23(28-12-21(16)24(27)30-22)31-25(34)20-10-19(20)17-11-29-33(4)13-17;1-16-4-2-3-5-19(16)23-10-17-11-24(29-14-22(17)25(28)31-23)32-26(34)21-12-20(21)18-13-30-33(15-18)7-9-35-8-6-27;2*1-4-15-6-5-14(2)18(7-15)22-8-16-9-23(27-12-21(16)24(26)29-22)30-25(32)20-10-19(20)17-11-28-31(3)13-17;2*1-13-4-5-14(2)17(6-13)21-7-15-8-22(26-11-20(15)23(25)28-21)29-24(31)19-9-18(19)16-10-27-30(3)12-16/h2*5-9,11-13,19-20H,10H2,1-4H3,(H2,27,30)(H,28,31,34);2-5,10-11,13-15,20-21H,6-9,12,27H2,1H3,(H2,28,31)(H,29,32,34);2*5-9,11-13,19-20H,4,10H2,1-3H3,(H2,26,29)(H,27,30,32);2*4-8,10-12,18-19H,9H2,1-3H3,(H2,25,28)(H,26,29,31)/t2*19-,20+;20-,21+;19-,20?;19-,20+;2*18-,19+/m1010110/s1
InChIKeyFEYHEHLGRVOXNS-FPAUPZKLSA-N
XLogP26.23
TPSA766.91 Ų
H-Bond Donors15
H-Bond Acceptors46
Rotatable Bonds37
Heavy Atoms231
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003088.70
LogP ≤ 526.23
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-N-[8-amino-6-(5-ethyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;3-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide;3-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide;trans-(1S,2S)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(5-ethyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[8-amino-6-(5-ethyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;3-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide;3-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide;trans-(1S,2S)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(5-ethyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of (2R)-N-[8-amino-6-(5-ethyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;3-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide;3-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide;trans-(1S,2S)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(5-ethyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 158011561) is (2R)-N-[8-amino-6-(5-ethyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;3-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide;3-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide;trans-(1S,2S)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(5-ethyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for (2R)-N-[8-amino-6-(5-ethyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;3-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide;3-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide;trans-(1S,2S)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(5-ethyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for (2R)-N-[8-amino-6-(5-ethyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;3-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide;3-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide;trans-(1S,2S)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(5-ethyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is CCc1ccc(C)c(-c2cc3cc(NC(=O)C4C[C@H]4c4cnn(C)c4)ncc3c(N)n2)c1.CCc1ccc(C)c(-c2cc3cc(NC(=O)[C@H]4C[C@@H]4c4cnn(C)c4)ncc3c(N)n2)c1.Cc1ccc(C(=O)N(C)C)cc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1.Cc1ccc(C(=O)N(C)C)cc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)ncc2c(N)n1.Cc1ccc(C)c(-c2cc3cc(NC(=O)[C@@H]4C[C@H]4c4cnn(C)c4)ncc3c(N)n2)c1.Cc1ccc(C)c(-c2cc3cc(NC(=O)[C@H]4C[C@@H]4c4cnn(C)c4)ncc3c(N)n2)c1.Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(CCOCCN)c3)ncc2c(N)n1.
What is the InChIKey of (2R)-N-[8-amino-6-(5-ethyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;3-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide;3-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide;trans-(1S,2S)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(5-ethyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is FEYHEHLGRVOXNS-FPAUPZKLSA-N. The full InChI is InChI=1S/2C26H27N7O2.C26H29N7O2.2C25H26N6O.2C24H24N6O/c2*1-14-5-6-15(26(35)32(2)3)7-18(14)22-8-16-9-23(28-12-21(16)24(27)30-22)31-25(34)20-10-19(20)17-11-29-33(4)13-17;1-16-4-2-3-5-19(16)23-10-17-11-24(29-14-22(17)25(28)31-23)32-26(34)21-12-20(21)18-13-30-33(15-18)7-9-35-8-6-27;2*1-4-15-6-5-14(2)18(7-15)22-8-16-9-23(27-12-21(16)24(26)29-22)30-25(32)20-10-19(20)17-11-28-31(3)13-17;2*1-13-4-5-14(2)17(6-13)21-7-15-8-22(26-11-20(15)23(25)28-21)29-24(31)19-9-18(19)16-10-27-30(3)12-16/h2*5-9,11-13,19-20H,10H2,1-4H3,(H2,27,30)(H,28,31,34);2-5,10-11,13-15,20-21H,6-9,12,27H2,1H3,(H2,28,31)(H,29,32,34);2*5-9,11-13,19-20H,4,10H2,1-3H3,(H2,26,29)(H,27,30,32);2*4-8,10-12,18-19H,9H2,1-3H3,(H2,25,28)(H,26,29,31)/t2*19-,20+;20-,21+;19-,20?;19-,20+;2*18-,19+/m1010110/s1.
What are the key properties of (2R)-N-[8-amino-6-(5-ethyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;3-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide;3-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide;trans-(1S,2S)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(5-ethyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
(2R)-N-[8-amino-6-(5-ethyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;3-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide;3-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide;trans-(1S,2S)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(5-ethyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 3088.70 g/mol, XLogP of 26.23, 37 rotatable bonds, 15 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[8-amino-6-(5-ethyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;3-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide;3-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide;trans-(1S,2S)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(5-ethyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 158011561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).