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

C27H31FN8O2 — CID 155203313

IUPAC2-[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
SMILESCN1CCC(CC2CCN(c3ccc(Nc4ncc(F)c(-c5cc6c([nH]5)CCNC6=O)n4)nc3)CC2)C1=O
InChIInChI=1S/C27H31FN8O2/c1-35-9-7-17(26(35)38)12-16-5-10-36(11-6-16)18-2-3-23(30-14-18)33-27-31-15-20(28)24(34-27)22-13-19-21(32-22)4-8-29-25(19)37/h2-3,13-17,32H,4-12H2,1H3,(H,29,37)(H,30,31,33,34)
InChIKeyPFCZFMSRYPKCND-UHFFFAOYSA-N
MW518.60 g/mol
LogP3.12
Rot. Bonds6

About 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

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 (PubChem CID 155203313) has the molecular formula C27H31FN8O2 and a molecular weight of 518.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID155203313
Molecular FormulaC27H31FN8O2
Molecular Weight518.60 g/mol
Exact Mass518.26
IUPAC Name2-[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
SMILESCN1CCC(CC2CCN(c3ccc(Nc4ncc(F)c(-c5cc6c([nH]5)CCNC6=O)n4)nc3)CC2)C1=O
InChIInChI=1S/C27H31FN8O2/c1-35-9-7-17(26(35)38)12-16-5-10-36(11-6-16)18-2-3-23(30-14-18)33-27-31-15-20(28)24(34-27)22-13-19-21(32-22)4-8-29-25(19)37/h2-3,13-17,32H,4-12H2,1H3,(H,29,37)(H,30,31,33,34)
InChIKeyPFCZFMSRYPKCND-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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-(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
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-propanoylpiperidin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
CID 155203364
4-(2-ethyl-5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine
CID 159346417
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
6-fluoro-8-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]quinolin-5-one
CID 166121128
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
(13R)-13-butan-2-yl-4-[(5-piperazin-1-yl-2-pyridinyl)amino]-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one
CID 86303150
5-fluoro-4-(8-fluoro-1-methyl-4-propan-2-yl-2,3-dihydroquinoxalin-6-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine
CID 166121076
(13S)-13-butan-2-yl-4-[(5-piperazin-1-yl-2-pyridinyl)amino]-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one
CID 69087599
5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-[(4S)-4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine
CID 155511235

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CCC(CC2CCN(c3ccc(Nc4ncc(F)c(-c5cc6c([nH]5)CCNC6=O)n4)nc3)CC2)C1=O.
What is the InChIKey of 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?
The InChIKey is PFCZFMSRYPKCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN8O2/c1-35-9-7-17(26(35)38)12-16-5-10-36(11-6-16)18-2-3-23(30-14-18)33-27-31-15-20(28)24(34-27)22-13-19-21(32-22)4-8-29-25(19)37/h2-3,13-17,32H,4-12H2,1H3,(H,29,37)(H,30,31,33,34).
What are the key properties of 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?
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 has a molecular weight of 518.60 g/mol, XLogP of 3.12, 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-[(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 is sourced from PubChem (CID 155203313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).