2-[5-fluoro-2-[[5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C27H31FN8O2 — CID 155203230

IUPAC2-[5-fluoro-2-[[5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2[nH]c(-c3nc(Nc4ccc(N5CCC(CC(=O)N6CCCC6)CC5)cn4)ncc3F)cc21
InChIInChI=1S/C27H31FN8O2/c28-20-16-31-27(34-25(20)22-14-19-21(32-22)5-8-29-26(19)38)33-23-4-3-18(15-30-23)35-11-6-17(7-12-35)13-24(37)36-9-1-2-10-36/h3-4,14-17,32H,1-2,5-13H2,(H,29,38)(H,30,31,33,34)
InChIKeyIAWKSMQKHDNEAN-UHFFFAOYSA-N
MW518.60 g/mol
LogP3.26
Rot. Bonds6

About 2-[5-fluoro-2-[[5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

2-[5-fluoro-2-[[5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 155203230) has the molecular formula C27H31FN8O2 and a molecular weight of 518.60 g/mol. Its IUPAC name is 2-[5-fluoro-2-[[5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[5-fluoro-2-[[5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID155203230
Molecular FormulaC27H31FN8O2
Molecular Weight518.60 g/mol
Exact Mass518.26
IUPAC Name2-[5-fluoro-2-[[5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2[nH]c(-c3nc(Nc4ccc(N5CCC(CC(=O)N6CCCC6)CC5)cn4)ncc3F)cc21
InChIInChI=1S/C27H31FN8O2/c28-20-16-31-27(34-25(20)22-14-19-21(32-22)5-8-29-26(19)38)33-23-4-3-18(15-30-23)35-11-6-17(7-12-35)13-24(37)36-9-1-2-10-36/h3-4,14-17,32H,1-2,5-13H2,(H,29,38)(H,30,31,33,34)
InChIKeyIAWKSMQKHDNEAN-UHFFFAOYSA-N
XLogP3.26
TPSA119.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.60
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[5-fluoro-2-[[5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one 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

N-(cyclopropylmethyl)-2-[1-[6-[[5-fluoro-4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-4-yl]-N-methylacetamide
CID 155203268
2-[5-fluoro-2-[[5-[4-[(1-methylpiperidin-4-yl)methyl]piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 155203413
2-[5-fluoro-2-[[5-[4-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 155203313
2-[5-fluoro-2-[[5-(4-propanoylpiperidin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
CID 155203364
1-[3-cyclopropyl-8-fluoro-6-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]imidazo[1,5-a]pyridin-1-yl]ethanone
CID 137497390
2-[[5-[4-(2-cyclohexylacetyl)piperazin-1-yl]-2-pyridinyl]amino]-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid;N-methylmethanamine
CID 175224021
2-[1-[6-[(8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]piperidin-4-yl]acetic acid
CID 58299865
5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine
CID 155550317
5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-yl-1,2-dihydrobenzimidazol-5-yl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrimidin-2-amine
CID 145006738
tert-butyl N-[6-[[5-fluoro-4-(1-methyl-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]carbamate
CID 155203444
5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-quinolin-3-ylpyrimidin-2-amine
CID 172786362
1-cyclopentyl-5-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one
CID 175582353

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-[[5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-[5-fluoro-2-[[5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 155203230) is 2-[5-fluoro-2-[[5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-[5-fluoro-2-[[5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[5-fluoro-2-[[5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is O=C1NCCc2[nH]c(-c3nc(Nc4ccc(N5CCC(CC(=O)N6CCCC6)CC5)cn4)ncc3F)cc21.
What is the InChIKey of 2-[5-fluoro-2-[[5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is IAWKSMQKHDNEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN8O2/c28-20-16-31-27(34-25(20)22-14-19-21(32-22)5-8-29-26(19)38)33-23-4-3-18(15-30-23)35-11-6-17(7-12-35)13-24(37)36-9-1-2-10-36/h3-4,14-17,32H,1-2,5-13H2,(H,29,38)(H,30,31,33,34).
What are the key properties of 2-[5-fluoro-2-[[5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-[5-fluoro-2-[[5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 518.60 g/mol, XLogP of 3.26, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-[[5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 155203230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).