2-[[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]amino]-1-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]ethanone

C26H24N8O2 — CID 146959153

IUPAC2-[[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]amino]-1-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]ethanone
SMILESCc1cc(-c2ncco2)ncc1-c1cc2cc(NCC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1
InChIInChI=1S/C26H24N8O2/c1-14-5-22(26-28-3-4-36-26)29-10-19(14)21-6-15-7-24(30-11-20(15)25(27)33-21)31-12-23(35)18-8-17(18)16-9-32-34(2)13-16/h3-7,9-11,13,17-18H,8,12H2,1-2H3,(H2,27,33)(H,30,31)/t17-,18+/m0/s1
InChIKeyAKFYFQYIWSYLLE-ZWKOTPCHSA-N
MW480.53 g/mol
LogP3.76
Rot. Bonds7

About 2-[[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]amino]-1-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]ethanone

2-[[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]amino]-1-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]ethanone (PubChem CID 146959153) has the molecular formula C26H24N8O2 and a molecular weight of 480.53 g/mol. Its IUPAC name is 2-[[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]amino]-1-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]ethanone.

Molecular Properties

Compound Name2-[[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]amino]-1-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]ethanone
PubChem CID146959153
Molecular FormulaC26H24N8O2
Molecular Weight480.53 g/mol
Exact Mass480.20
IUPAC Name2-[[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]amino]-1-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]ethanone
SMILESCc1cc(-c2ncco2)ncc1-c1cc2cc(NCC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1
InChIInChI=1S/C26H24N8O2/c1-14-5-22(26-28-3-4-36-26)29-10-19(14)21-6-15-7-24(30-11-20(15)25(27)33-21)31-12-23(35)18-8-17(18)16-9-32-34(2)13-16/h3-7,9-11,13,17-18H,8,12H2,1-2H3,(H2,27,33)(H,30,31)/t17-,18+/m0/s1
InChIKeyAKFYFQYIWSYLLE-ZWKOTPCHSA-N
XLogP3.76
TPSA137.64 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]amino]-1-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]ethanone with MolForge

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Related Compounds

4-[3-[4-[4-fluoro-2-(1,3-oxazol-2-yl)phenyl]piperazin-1-yl]propylamino]-N,N,1,3-tetramethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 10506159
2-[8-[4-(1-Methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-1,3-oxazole
CID 118660754
2-((8-amino-7-fluoro-6-(4-methyl-6-(oxazol-2-yl)pyridin-3-yl)isoquinolin-3-yl)amino)-4,6-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7(8H)-one
CID 135342876
(1S,2S,3S)-N-[8-amino-7-fluoro-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135343616
4-(1-methyl-4-(oxazol-2-yl)-1H-pyrazol-3-yl)-N-(4-morpholinophenyl)pyridin-2-amine
CID 54587542
6-[6-(Methylamino)-3-pyridinyl]-12-(1-methylpyrazol-4-yl)-3-[2-(oxan-4-yl)ethyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
CID 71680783
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide
CID 56836623
Methyl-1H-pyrazole-4-carboxylic acid (2-oxazol-2-yl-4-oxo-1-phenyl-1,4-dihydro-[1,8]naphthyridin-3-ylmethyl)-amide
CID 71217335
(2S,4R)-1-(2-(3-acetyl-5-(2-methylpyrimidin-5-yl)-1H-indazol-1-yl)acetyl)-4-fluoro-N-(6-(oxazol-2-yl)pyridin-2-yl)pyrrolidine-2-carboxamide
CID 126623052
(1R,2S,3R)-N-[8-amino-7-fluoro-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135342716
(1R,2R,3R)-N-[8-amino-7-fluoro-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135342978
(1S,2R,3S)-N-[8-amino-7-fluoro-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135343178

Frequently Asked Questions

What is the IUPAC name of 2-[[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]amino]-1-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]ethanone?
The IUPAC name of 2-[[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]amino]-1-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]ethanone (CID 146959153) is 2-[[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]amino]-1-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]ethanone.
What is the SMILES notation for 2-[[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]amino]-1-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]ethanone?
The canonical SMILES for 2-[[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]amino]-1-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]ethanone is Cc1cc(-c2ncco2)ncc1-c1cc2cc(NCC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1.
What is the InChIKey of 2-[[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]amino]-1-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]ethanone?
The InChIKey is AKFYFQYIWSYLLE-ZWKOTPCHSA-N. The full InChI is InChI=1S/C26H24N8O2/c1-14-5-22(26-28-3-4-36-26)29-10-19(14)21-6-15-7-24(30-11-20(15)25(27)33-21)31-12-23(35)18-8-17(18)16-9-32-34(2)13-16/h3-7,9-11,13,17-18H,8,12H2,1-2H3,(H2,27,33)(H,30,31)/t17-,18+/m0/s1.
What are the key properties of 2-[[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]amino]-1-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]ethanone?
2-[[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]amino]-1-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]ethanone has a molecular weight of 480.53 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]amino]-1-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]ethanone is sourced from PubChem (CID 146959153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).