2-[[2-[4-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2,3-dihydroindole-1-carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]amino]acetic acid

C38H40N8O4 — CID 176719251

IUPAC2-[[2-[4-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2,3-dihydroindole-1-carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]amino]acetic acid
SMILESCc1c(Nc2nccc3cc(CN4CC[C@@H](O)C4)cnc23)cccc1-c1cccc2c1CCN2C(=O)c1cc2n(n1)CCCC2NCC(=O)O
InChIInChI=1S/C38H40N8O4/c1-23-27(5-2-7-30(23)42-37-36-25(10-13-39-37)17-24(19-41-36)21-44-15-11-26(47)22-44)28-6-3-9-33-29(28)12-16-45(33)38(50)32-18-34-31(40-20-35(48)49)8-4-14-46(34)43-32/h2-3,5-7,9-10,13,17-19,26,31,40,47H,4,8,11-12,14-16,20-22H2,1H3,(H,39,42)(H,48,49)/t26-,31?/m1/s1
InChIKeyGBIUUGUVULDXAW-SYQKMTEESA-N
MW672.79 g/mol
LogP4.82
Rot. Bonds9

About 2-[[2-[4-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2,3-dihydroindole-1-carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]amino]acetic acid

2-[[2-[4-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2,3-dihydroindole-1-carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]amino]acetic acid (PubChem CID 176719251) has the molecular formula C38H40N8O4 and a molecular weight of 672.79 g/mol. Its IUPAC name is 2-[[2-[4-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2,3-dihydroindole-1-carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[4-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2,3-dihydroindole-1-carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]amino]acetic acid
PubChem CID176719251
Molecular FormulaC38H40N8O4
Molecular Weight672.79 g/mol
Exact Mass672.32
IUPAC Name2-[[2-[4-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2,3-dihydroindole-1-carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]amino]acetic acid
SMILESCc1c(Nc2nccc3cc(CN4CC[C@@H](O)C4)cnc23)cccc1-c1cccc2c1CCN2C(=O)c1cc2n(n1)CCCC2NCC(=O)O
InChIInChI=1S/C38H40N8O4/c1-23-27(5-2-7-30(23)42-37-36-25(10-13-39-37)17-24(19-41-36)21-44-15-11-26(47)22-44)28-6-3-9-33-29(28)12-16-45(33)38(50)32-18-34-31(40-20-35(48)49)8-4-14-46(34)43-32/h2-3,5-7,9-10,13,17-19,26,31,40,47H,4,8,11-12,14-16,20-22H2,1H3,(H,39,42)(H,48,49)/t26-,31?/m1/s1
InChIKeyGBIUUGUVULDXAW-SYQKMTEESA-N
XLogP4.82
TPSA148.74 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500672.79
LogP ≤ 54.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 2-[[2-[4-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2,3-dihydroindole-1-carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[8-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]anilino]-1,7-naphthyridin-3-yl]methyl]pyrrolidin-3-ol
CID 135145756
[1-[[8-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]anilino]-1,7-naphthyridin-3-yl]methyl]pyrrolidin-3-yl]-phosphanylmethanone
CID 170078466
3-[[8-cyano-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]amino]propanoic acid
CID 166036725
(3R)-1-[[8-(2-methylanilino)-1,7-naphthyridin-3-yl]methyl]pyrrolidin-3-ol
CID 169284112
8-chloro-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 135146575
4-[8-[3-[1-[5-(2-carboxyethyl)-4,6,7,7a-tetrahydro-3aH-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl]-2,3-dihydroindol-4-yl]-2-methylanilino]-1,7-naphthyridin-3-yl]butanoic acid
CID 160726732
(3R)-1-[[7-cyano-2-[3-[3-[[3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-1,3-benzoxazol-5-yl]methyl]pyrrolidine-3-carboxylic acid
CID 135147787
3-[[7-chloro-2-[3-[3-[[3-[(3-hydroxypyrrolidin-1-yl)methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-1,3-benzoxazol-5-yl]methyl-methylamino]propanoic acid
CID 135147993
1-[[8-[2-methyl-3-[2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]anilino]-1,7-naphthyridin-3-yl]methyl]pyrrolidin-3-ol
CID 135146000
(3R)-1-[[7-cyano-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-1,3-benzoxazol-5-yl]methyl]pyrrolidine-3-carboxylic acid;dihydrobromide
CID 155794534
8-[[2-chloro-3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]phenyl]methyl]-1,7-naphthyridine-3-carbaldehyde
CID 160618069
(3R)-1-[[8-[3-[3-[(7-ethenylpyrido[3,2-d]pyrimidin-4-yl)methyl]-2-methylphenyl]-2-methylanilino]-1,7-naphthyridin-3-yl]methyl]pyrrolidin-3-ol
CID 159898898

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2,3-dihydroindole-1-carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]amino]acetic acid?
The IUPAC name of 2-[[2-[4-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2,3-dihydroindole-1-carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]amino]acetic acid (CID 176719251) is 2-[[2-[4-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2,3-dihydroindole-1-carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[4-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2,3-dihydroindole-1-carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]amino]acetic acid?
The canonical SMILES for 2-[[2-[4-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2,3-dihydroindole-1-carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]amino]acetic acid is Cc1c(Nc2nccc3cc(CN4CC[C@@H](O)C4)cnc23)cccc1-c1cccc2c1CCN2C(=O)c1cc2n(n1)CCCC2NCC(=O)O.
What is the InChIKey of 2-[[2-[4-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2,3-dihydroindole-1-carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]amino]acetic acid?
The InChIKey is GBIUUGUVULDXAW-SYQKMTEESA-N. The full InChI is InChI=1S/C38H40N8O4/c1-23-27(5-2-7-30(23)42-37-36-25(10-13-39-37)17-24(19-41-36)21-44-15-11-26(47)22-44)28-6-3-9-33-29(28)12-16-45(33)38(50)32-18-34-31(40-20-35(48)49)8-4-14-46(34)43-32/h2-3,5-7,9-10,13,17-19,26,31,40,47H,4,8,11-12,14-16,20-22H2,1H3,(H,39,42)(H,48,49)/t26-,31?/m1/s1.
What are the key properties of 2-[[2-[4-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2,3-dihydroindole-1-carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]amino]acetic acid?
2-[[2-[4-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2,3-dihydroindole-1-carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]amino]acetic acid has a molecular weight of 672.79 g/mol, XLogP of 4.82, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2,3-dihydroindole-1-carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]amino]acetic acid is sourced from PubChem (CID 176719251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).