(2R)-N-[8-amino-6-[2-(1H-pyrazol-4-yl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(2-hydroxypropyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(1H-pyrazol-4-yl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C160H141Cl2N47O8 — CID 157236469

IUPAC(2R)-N-[8-amino-6-[2-(1H-pyrazol-4-yl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(2-hydroxypropyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(1H-pyrazol-4-yl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCC(O)Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C#N)ncc2c(N)n1.Cc1ccccc1-c1nc(N)c2cnc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)cc2c1Cl.Cc1ccccc1-c1nc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)cc2c1Cl.N#C[C@@H]1CC1C(=O)Nc1cc2cc(-c3ccccc3-c3cn[nH]c3)nc(N)c2cn1.N#C[C@H]1C[C@@H]1C(=O)Nc1cc2cc(-c3ccccc3-c3cn[nH]c3)nc(N)c2cn1.[C-]#[N+]C[C@@H]1C[C@H]1C(=O)Nc1cc2cc(-c3cnc(-c4cnn(C)c4)cc3C)nc(N)c2cn1.[C-]#[N+]C[C@H]1C[C@@H]1C(=O)Nc1cc2cc(-c3cnc(-c4cnn(C)c4)cc3C)nc(N)c2cn1
InChIInChI=1S/2C24H22N8O.2C23H21ClN6O.2C22H17N7O.C22H21N5O2/c2*1-13-4-20(16-9-29-32(3)12-16)27-10-18(13)21-6-14-7-22(28-11-19(14)23(25)30-21)31-24(33)17-5-15(17)8-26-2;2*1-12-5-3-4-6-14(12)21-20(24)16-8-19(26-10-18(16)22(25)29-21)28-23(31)17-7-15(17)13-9-27-30(2)11-13;2*23-8-13-5-17(13)22(30)29-20-7-12-6-19(28-21(24)18(12)11-25-20)16-4-2-1-3-15(16)14-9-26-27-10-14;1-12(28)6-13-4-2-3-5-16(13)19-8-14-9-20(25-11-18(14)21(24)26-19)27-22(29)17-7-15(17)10-23/h2*4,6-7,9-12,15,17H,5,8H2,1,3H3,(H2,25,30)(H,28,31,33);2*3-6,8-11,15,17H,7H2,1-2H3,(H2,25,29)(H,26,28,31);2*1-4,6-7,9-11,13,17H,5H2,(H2,24,28)(H,26,27)(H,25,29,30);2-5,8-9,11-12,15,17,28H,6-7H2,1H3,(H2,24,26)(H,25,27,29)/t4*15-,17+;13-,17?;13-,17+;12?,15-,17+/m1010010/s1
InChIKeyAURRHDANKRKUMG-JHCGFYRVSA-N
MW2921.11 g/mol
LogP25.22
Rot. Bonds31

About (2R)-N-[8-amino-6-[2-(1H-pyrazol-4-yl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(2-hydroxypropyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(1H-pyrazol-4-yl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

(2R)-N-[8-amino-6-[2-(1H-pyrazol-4-yl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(2-hydroxypropyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(1H-pyrazol-4-yl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 157236469) has the molecular formula C160H141Cl2N47O8 and a molecular weight of 2921.11 g/mol. Its IUPAC name is (2R)-N-[8-amino-6-[2-(1H-pyrazol-4-yl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(2-hydroxypropyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(1H-pyrazol-4-yl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[8-amino-6-[2-(1H-pyrazol-4-yl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(2-hydroxypropyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(1H-pyrazol-4-yl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID157236469
Molecular FormulaC160H141Cl2N47O8
Molecular Weight2921.11 g/mol
Exact Mass2918.14
IUPAC Name(2R)-N-[8-amino-6-[2-(1H-pyrazol-4-yl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(2-hydroxypropyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(1H-pyrazol-4-yl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCC(O)Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C#N)ncc2c(N)n1.Cc1ccccc1-c1nc(N)c2cnc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)cc2c1Cl.Cc1ccccc1-c1nc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)cc2c1Cl.N#C[C@@H]1CC1C(=O)Nc1cc2cc(-c3ccccc3-c3cn[nH]c3)nc(N)c2cn1.N#C[C@H]1C[C@@H]1C(=O)Nc1cc2cc(-c3ccccc3-c3cn[nH]c3)nc(N)c2cn1.[C-]#[N+]C[C@@H]1C[C@H]1C(=O)Nc1cc2cc(-c3cnc(-c4cnn(C)c4)cc3C)nc(N)c2cn1.[C-]#[N+]C[C@H]1C[C@@H]1C(=O)Nc1cc2cc(-c3cnc(-c4cnn(C)c4)cc3C)nc(N)c2cn1
InChIInChI=1S/2C24H22N8O.2C23H21ClN6O.2C22H17N7O.C22H21N5O2/c2*1-13-4-20(16-9-29-32(3)12-16)27-10-18(13)21-6-14-7-22(28-11-19(14)23(25)30-21)31-24(33)17-5-15(17)8-26-2;2*1-12-5-3-4-6-14(12)21-20(24)16-8-19(26-10-18(16)22(25)29-21)28-23(31)17-7-15(17)13-9-27-30(2)11-13;2*23-8-13-5-17(13)22(30)29-20-7-12-6-19(28-21(24)18(12)11-25-20)16-4-2-1-3-15(16)14-9-26-27-10-14;1-12(28)6-13-4-2-3-5-16(13)19-8-14-9-20(25-11-18(14)21(24)26-19)27-22(29)17-7-15(17)10-23/h2*4,6-7,9-12,15,17H,5,8H2,1,3H3,(H2,25,30)(H,28,31,33);2*3-6,8-11,15,17H,7H2,1-2H3,(H2,25,29)(H,26,28,31);2*1-4,6-7,9-11,13,17H,5H2,(H2,24,28)(H,26,27)(H,25,29,30);2-5,8-9,11-12,15,17,28H,6-7H2,1H3,(H2,24,26)(H,25,27,29)/t4*15-,17+;13-,17?;13-,17+;12?,15-,17+/m1010010/s1
InChIKeyAURRHDANKRKUMG-JHCGFYRVSA-N
XLogP25.22
TPSA821.04 Ų
H-Bond Donors17
H-Bond Acceptors44
Rotatable Bonds31
Heavy Atoms217
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002921.11
LogP ≤ 525.22
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

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

Analyze (2R)-N-[8-amino-6-[2-(1H-pyrazol-4-yl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(2-hydroxypropyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(1H-pyrazol-4-yl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-(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-[2-(1H-pyrazol-4-yl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(2-hydroxypropyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(1H-pyrazol-4-yl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of (2R)-N-[8-amino-6-[2-(1H-pyrazol-4-yl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(2-hydroxypropyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(1H-pyrazol-4-yl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 157236469) is (2R)-N-[8-amino-6-[2-(1H-pyrazol-4-yl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(2-hydroxypropyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(1H-pyrazol-4-yl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-(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-[2-(1H-pyrazol-4-yl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(2-hydroxypropyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(1H-pyrazol-4-yl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for (2R)-N-[8-amino-6-[2-(1H-pyrazol-4-yl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(2-hydroxypropyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(1H-pyrazol-4-yl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is CC(O)Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C#N)ncc2c(N)n1.Cc1ccccc1-c1nc(N)c2cnc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)cc2c1Cl.Cc1ccccc1-c1nc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)cc2c1Cl.N#C[C@@H]1CC1C(=O)Nc1cc2cc(-c3ccccc3-c3cn[nH]c3)nc(N)c2cn1.N#C[C@H]1C[C@@H]1C(=O)Nc1cc2cc(-c3ccccc3-c3cn[nH]c3)nc(N)c2cn1.[C-]#[N+]C[C@@H]1C[C@H]1C(=O)Nc1cc2cc(-c3cnc(-c4cnn(C)c4)cc3C)nc(N)c2cn1.[C-]#[N+]C[C@H]1C[C@@H]1C(=O)Nc1cc2cc(-c3cnc(-c4cnn(C)c4)cc3C)nc(N)c2cn1.
What is the InChIKey of (2R)-N-[8-amino-6-[2-(1H-pyrazol-4-yl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(2-hydroxypropyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(1H-pyrazol-4-yl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is AURRHDANKRKUMG-JHCGFYRVSA-N. The full InChI is InChI=1S/2C24H22N8O.2C23H21ClN6O.2C22H17N7O.C22H21N5O2/c2*1-13-4-20(16-9-29-32(3)12-16)27-10-18(13)21-6-14-7-22(28-11-19(14)23(25)30-21)31-24(33)17-5-15(17)8-26-2;2*1-12-5-3-4-6-14(12)21-20(24)16-8-19(26-10-18(16)22(25)29-21)28-23(31)17-7-15(17)13-9-27-30(2)11-13;2*23-8-13-5-17(13)22(30)29-20-7-12-6-19(28-21(24)18(12)11-25-20)16-4-2-1-3-15(16)14-9-26-27-10-14;1-12(28)6-13-4-2-3-5-16(13)19-8-14-9-20(25-11-18(14)21(24)26-19)27-22(29)17-7-15(17)10-23/h2*4,6-7,9-12,15,17H,5,8H2,1,3H3,(H2,25,30)(H,28,31,33);2*3-6,8-11,15,17H,7H2,1-2H3,(H2,25,29)(H,26,28,31);2*1-4,6-7,9-11,13,17H,5H2,(H2,24,28)(H,26,27)(H,25,29,30);2-5,8-9,11-12,15,17,28H,6-7H2,1H3,(H2,24,26)(H,25,27,29)/t4*15-,17+;13-,17?;13-,17+;12?,15-,17+/m1010010/s1.
What are the key properties of (2R)-N-[8-amino-6-[2-(1H-pyrazol-4-yl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(2-hydroxypropyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(1H-pyrazol-4-yl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
(2R)-N-[8-amino-6-[2-(1H-pyrazol-4-yl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(2-hydroxypropyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(1H-pyrazol-4-yl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 2921.11 g/mol, XLogP of 25.22, 31 rotatable bonds, 17 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[8-amino-6-[2-(1H-pyrazol-4-yl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(2-hydroxypropyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(1H-pyrazol-4-yl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 157236469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).