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

C28H35FN8O — CID 155203413

IUPAC2-[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
SMILESCN1CCC(CC2CCN(c3ccc(Nc4ncc(F)c(-c5cc6c([nH]5)CCNC6=O)n4)nc3)CC2)CC1
InChIInChI=1S/C28H35FN8O/c1-36-10-5-18(6-11-36)14-19-7-12-37(13-8-19)20-2-3-25(31-16-20)34-28-32-17-22(29)26(35-28)24-15-21-23(33-24)4-9-30-27(21)38/h2-3,15-19,33H,4-14H2,1H3,(H,30,38)(H,31,32,34,35)
InChIKeyXAVORPVYCXXHHF-UHFFFAOYSA-N
MW518.64 g/mol
LogP3.98
Rot. Bonds6

About 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

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 (PubChem CID 155203413) has the molecular formula C28H35FN8O and a molecular weight of 518.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID155203413
Molecular FormulaC28H35FN8O
Molecular Weight518.64 g/mol
Exact Mass518.29
IUPAC Name2-[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
SMILESCN1CCC(CC2CCN(c3ccc(Nc4ncc(F)c(-c5cc6c([nH]5)CCNC6=O)n4)nc3)CC2)CC1
InChIInChI=1S/C28H35FN8O/c1-36-10-5-18(6-11-36)14-19-7-12-37(13-8-19)20-2-3-25(31-16-20)34-28-32-17-22(29)26(35-28)24-15-21-23(33-24)4-9-30-27(21)38/h2-3,15-19,33H,4-14H2,1H3,(H,30,38)(H,31,32,34,35)
InChIKeyXAVORPVYCXXHHF-UHFFFAOYSA-N
XLogP3.98
TPSA102.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.64
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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-(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
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-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
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
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
4-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-11-one
CID 118462048
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
N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-amine
CID 163381263

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CCC(CC2CCN(c3ccc(Nc4ncc(F)c(-c5cc6c([nH]5)CCNC6=O)n4)nc3)CC2)CC1.
What is the InChIKey of 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?
The InChIKey is XAVORPVYCXXHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35FN8O/c1-36-10-5-18(6-11-36)14-19-7-12-37(13-8-19)20-2-3-25(31-16-20)34-28-32-17-22(29)26(35-28)24-15-21-23(33-24)4-9-30-27(21)38/h2-3,15-19,33H,4-14H2,1H3,(H,30,38)(H,31,32,34,35).
What are the key properties of 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?
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 has a molecular weight of 518.64 g/mol, XLogP of 3.98, 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-methylpiperidin-4-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 155203413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).