2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-cyclopropylpyrazol-1-yl]ethanol;3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide;2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-methylpyrazol-1-yl]ethanol;2-[5-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-3-methylpyrazol-1-yl]ethanol;1-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol

C108H113N31O5 — CID 159924062

IUPAC2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-cyclopropylpyrazol-1-yl]ethanol;3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide;2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-methylpyrazol-1-yl]ethanol;2-[5-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-3-methylpyrazol-1-yl]ethanol;1-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCNC(=O)c1cc(Nc2cc3cc(-c4ccccc4C)nc(N)c3cn2)nn1C.Cc1cc(Nc2cc3cc(-c4ccccc4C)nc(N)c3cn2)n(CCO)n1.Cc1ccccc1-c1cc2cc(Nc3cc(C)n(CCO)n3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(Nc3cc(C4CC4)n(CCO)n3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(Nc3cnn(CC(C)(C)O)c3)ncc2c(N)n1
InChIInChI=1S/C23H24N6O.C22H24N6O.C21H21N7O.2C21H22N6O/c1-14-4-2-3-5-17(14)19-10-16-11-21(25-13-18(16)23(24)26-19)27-22-12-20(15-6-7-15)29(28-22)8-9-30;1-14-6-4-5-7-17(14)19-8-15-9-20(24-11-18(15)21(23)27-19)26-16-10-25-28(12-16)13-22(2,3)29;1-12-6-4-5-7-14(12)16-8-13-9-18(24-11-15(13)20(22)25-16)26-19-10-17(21(29)23-2)28(3)27-19;1-13-5-3-4-6-16(13)18-10-15-11-19(23-12-17(15)21(22)24-18)25-20-9-14(2)27(26-20)7-8-28;1-13-5-3-4-6-16(13)18-10-15-11-19(23-12-17(15)21(22)24-18)25-20-9-14(2)26-27(20)7-8-28/h2-5,10-13,15,30H,6-9H2,1H3,(H2,24,26)(H,25,27,28);4-12,29H,13H2,1-3H3,(H2,23,27)(H,24,26);4-11H,1-3H3,(H2,22,25)(H,23,29)(H,24,26,27);3-6,9-12,28H,7-8H2,1-2H3,(H2,22,24)(H,23,25,26);3-6,9-12,28H,7-8H2,1-2H3,(H2,22,24)(H,23,25)
InChIKeyNYTYYYCAWMJRNP-UHFFFAOYSA-N
MW1925.30 g/mol
LogP17.78
Rot. Bonds25

About 2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-cyclopropylpyrazol-1-yl]ethanol;3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide;2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-methylpyrazol-1-yl]ethanol;2-[5-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-3-methylpyrazol-1-yl]ethanol;1-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol

2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-cyclopropylpyrazol-1-yl]ethanol;3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide;2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-methylpyrazol-1-yl]ethanol;2-[5-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-3-methylpyrazol-1-yl]ethanol;1-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol (PubChem CID 159924062) has the molecular formula C108H113N31O5 and a molecular weight of 1925.30 g/mol. Its IUPAC name is 2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-cyclopropylpyrazol-1-yl]ethanol;3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide;2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-methylpyrazol-1-yl]ethanol;2-[5-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-3-methylpyrazol-1-yl]ethanol;1-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-cyclopropylpyrazol-1-yl]ethanol;3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide;2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-methylpyrazol-1-yl]ethanol;2-[5-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-3-methylpyrazol-1-yl]ethanol;1-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol
PubChem CID159924062
Molecular FormulaC108H113N31O5
Molecular Weight1925.30 g/mol
Exact Mass1923.95
IUPAC Name2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-cyclopropylpyrazol-1-yl]ethanol;3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide;2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-methylpyrazol-1-yl]ethanol;2-[5-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-3-methylpyrazol-1-yl]ethanol;1-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCNC(=O)c1cc(Nc2cc3cc(-c4ccccc4C)nc(N)c3cn2)nn1C.Cc1cc(Nc2cc3cc(-c4ccccc4C)nc(N)c3cn2)n(CCO)n1.Cc1ccccc1-c1cc2cc(Nc3cc(C)n(CCO)n3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(Nc3cc(C4CC4)n(CCO)n3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(Nc3cnn(CC(C)(C)O)c3)ncc2c(N)n1
InChIInChI=1S/C23H24N6O.C22H24N6O.C21H21N7O.2C21H22N6O/c1-14-4-2-3-5-17(14)19-10-16-11-21(25-13-18(16)23(24)26-19)27-22-12-20(15-6-7-15)29(28-22)8-9-30;1-14-6-4-5-7-17(14)19-8-15-9-20(24-11-18(15)21(23)27-19)26-16-10-25-28(12-16)13-22(2,3)29;1-12-6-4-5-7-14(12)16-8-13-9-18(24-11-15(13)20(22)25-16)26-19-10-17(21(29)23-2)28(3)27-19;1-13-5-3-4-6-16(13)18-10-15-11-19(23-12-17(15)21(22)24-18)25-20-9-14(2)27(26-20)7-8-28;1-13-5-3-4-6-16(13)18-10-15-11-19(23-12-17(15)21(22)24-18)25-20-9-14(2)26-27(20)7-8-28/h2-5,10-13,15,30H,6-9H2,1H3,(H2,24,26)(H,25,27,28);4-12,29H,13H2,1-3H3,(H2,23,27)(H,24,26);4-11H,1-3H3,(H2,22,25)(H,23,29)(H,24,26,27);3-6,9-12,28H,7-8H2,1-2H3,(H2,22,24)(H,23,25,26);3-6,9-12,28H,7-8H2,1-2H3,(H2,22,24)(H,23,25)
InChIKeyNYTYYYCAWMJRNP-UHFFFAOYSA-N
XLogP17.78
TPSA518.27 Ų
H-Bond Donors15
H-Bond Acceptors35
Rotatable Bonds25
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001925.30
LogP ≤ 517.78
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1035

Analyze 2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-cyclopropylpyrazol-1-yl]ethanol;3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide;2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-methylpyrazol-1-yl]ethanol;2-[5-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-3-methylpyrazol-1-yl]ethanol;1-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol with MolForge

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Related Compounds

6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-[(2,5-dimethyl-4-pyridinyl)methyl]-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-[2-(ethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-[[6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-pyridin-4-ylpyridine-2-carboxamide
CID 158314068
3-[[8-[2-[3-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-5-methylpyrazol-1-yl]ethoxyamino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide
CID 156477428
3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide;2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-methylpyrazol-1-yl]ethanol;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-1-ol;(2S)-2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile;(2R)-2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile
CID 157136035
6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[1,5-a]pyrimidine;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2H-isoquinolin-1-one;2-methyl-4-[6-(4-piperidin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;1-[4-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]piperidin-1-yl]ethanone
CID 157405379
2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-N-methylacetamide;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propan-1-ol;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-N,N,2-trimethylpropanamide
CID 157513751
2-[3-[[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]ethanol;4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyridin-2-one;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-N,2-dimethylpropanamide;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]ethanol
CID 157652338
(1R,2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[6-[1-(dimethylamino)ethenyl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(7-methyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide
CID 157918551
(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
(3R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one;(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one;(3R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-one;(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-one
CID 158344627
2-[[4-[4-(6-Methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-dien-5-yl]-2-pyridinyl]amino]ethanol;6-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-dien-5-yl]quinoline-4-carboxamide;4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-diene
CID 158362088
CID 158373516
CID 158373516
(3R,4R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol;(3S,4S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol;(3S,4S)-4-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-3-ol;1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone
CID 158461337

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-cyclopropylpyrazol-1-yl]ethanol;3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide;2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-methylpyrazol-1-yl]ethanol;2-[5-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-3-methylpyrazol-1-yl]ethanol;1-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-cyclopropylpyrazol-1-yl]ethanol;3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide;2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-methylpyrazol-1-yl]ethanol;2-[5-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-3-methylpyrazol-1-yl]ethanol;1-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol (CID 159924062) is 2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-cyclopropylpyrazol-1-yl]ethanol;3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide;2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-methylpyrazol-1-yl]ethanol;2-[5-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-3-methylpyrazol-1-yl]ethanol;1-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-cyclopropylpyrazol-1-yl]ethanol;3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide;2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-methylpyrazol-1-yl]ethanol;2-[5-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-3-methylpyrazol-1-yl]ethanol;1-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-cyclopropylpyrazol-1-yl]ethanol;3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide;2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-methylpyrazol-1-yl]ethanol;2-[5-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-3-methylpyrazol-1-yl]ethanol;1-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol is CNC(=O)c1cc(Nc2cc3cc(-c4ccccc4C)nc(N)c3cn2)nn1C.Cc1cc(Nc2cc3cc(-c4ccccc4C)nc(N)c3cn2)n(CCO)n1.Cc1ccccc1-c1cc2cc(Nc3cc(C)n(CCO)n3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(Nc3cc(C4CC4)n(CCO)n3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(Nc3cnn(CC(C)(C)O)c3)ncc2c(N)n1.
What is the InChIKey of 2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-cyclopropylpyrazol-1-yl]ethanol;3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide;2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-methylpyrazol-1-yl]ethanol;2-[5-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-3-methylpyrazol-1-yl]ethanol;1-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is NYTYYYCAWMJRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O.C22H24N6O.C21H21N7O.2C21H22N6O/c1-14-4-2-3-5-17(14)19-10-16-11-21(25-13-18(16)23(24)26-19)27-22-12-20(15-6-7-15)29(28-22)8-9-30;1-14-6-4-5-7-17(14)19-8-15-9-20(24-11-18(15)21(23)27-19)26-16-10-25-28(12-16)13-22(2,3)29;1-12-6-4-5-7-14(12)16-8-13-9-18(24-11-15(13)20(22)25-16)26-19-10-17(21(29)23-2)28(3)27-19;1-13-5-3-4-6-16(13)18-10-15-11-19(23-12-17(15)21(22)24-18)25-20-9-14(2)27(26-20)7-8-28;1-13-5-3-4-6-16(13)18-10-15-11-19(23-12-17(15)21(22)24-18)25-20-9-14(2)26-27(20)7-8-28/h2-5,10-13,15,30H,6-9H2,1H3,(H2,24,26)(H,25,27,28);4-12,29H,13H2,1-3H3,(H2,23,27)(H,24,26);4-11H,1-3H3,(H2,22,25)(H,23,29)(H,24,26,27);3-6,9-12,28H,7-8H2,1-2H3,(H2,22,24)(H,23,25,26);3-6,9-12,28H,7-8H2,1-2H3,(H2,22,24)(H,23,25).
What are the key properties of 2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-cyclopropylpyrazol-1-yl]ethanol;3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide;2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-methylpyrazol-1-yl]ethanol;2-[5-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-3-methylpyrazol-1-yl]ethanol;1-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol?
2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-cyclopropylpyrazol-1-yl]ethanol;3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide;2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-methylpyrazol-1-yl]ethanol;2-[5-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-3-methylpyrazol-1-yl]ethanol;1-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 1925.30 g/mol, XLogP of 17.78, 25 rotatable bonds, 15 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-cyclopropylpyrazol-1-yl]ethanol;3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide;2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-methylpyrazol-1-yl]ethanol;2-[5-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-3-methylpyrazol-1-yl]ethanol;1-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 159924062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).