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

C28H33FN8O2 — CID 155203268

IUPACN-(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
SMILESCN(CC1CC1)C(=O)CC1CCN(c2ccc(Nc3ncc(F)c(-c4cc5c([nH]4)CCNC5=O)n3)nc2)CC1
InChIInChI=1S/C28H33FN8O2/c1-36(16-18-2-3-18)25(38)12-17-7-10-37(11-8-17)19-4-5-24(31-14-19)34-28-32-15-21(29)26(35-28)23-13-20-22(33-23)6-9-30-27(20)39/h4-5,13-15,17-18,33H,2-3,6-12,16H2,1H3,(H,30,39)(H,31,32,34,35)
InChIKeyPYQVHXASEYNBEI-UHFFFAOYSA-N
MW532.62 g/mol
LogP3.51
Rot. Bonds8

About 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

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 (PubChem CID 155203268) has the molecular formula C28H33FN8O2 and a molecular weight of 532.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID155203268
Molecular FormulaC28H33FN8O2
Molecular Weight532.62 g/mol
Exact Mass532.27
IUPAC NameN-(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
SMILESCN(CC1CC1)C(=O)CC1CCN(c2ccc(Nc3ncc(F)c(-c4cc5c([nH]4)CCNC5=O)n3)nc2)CC1
InChIInChI=1S/C28H33FN8O2/c1-36(16-18-2-3-18)25(38)12-17-7-10-37(11-8-17)19-4-5-24(31-14-19)34-28-32-15-21(29)26(35-28)23-13-20-22(33-23)6-9-30-27(20)39/h4-5,13-15,17-18,33H,2-3,6-12,16H2,1H3,(H,30,39)(H,31,32,34,35)
InChIKeyPYQVHXASEYNBEI-UHFFFAOYSA-N
XLogP3.51
TPSA119.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.62
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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
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
N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-amine
CID 163381263
7-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-N,N-dimethylquinoxalin-2-amine
CID 166635385
N-[5-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-pyridinyl]-5-fluoro-4-(2,2,8-trifluoro-4-propan-2-yl-3H-1,4-benzoxazin-6-yl)pyrimidin-2-amine
CID 139410543
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
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
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
2-[2-[4-(4-sulfanylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 146587112

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(CC1CC1)C(=O)CC1CCN(c2ccc(Nc3ncc(F)c(-c4cc5c([nH]4)CCNC5=O)n3)nc2)CC1.
What is the InChIKey of 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?
The InChIKey is PYQVHXASEYNBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN8O2/c1-36(16-18-2-3-18)25(38)12-17-7-10-37(11-8-17)19-4-5-24(31-14-19)34-28-32-15-21(29)26(35-28)23-13-20-22(33-23)6-9-30-27(20)39/h4-5,13-15,17-18,33H,2-3,6-12,16H2,1H3,(H,30,39)(H,31,32,34,35).
What are the key properties of 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?
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 has a molecular weight of 532.62 g/mol, XLogP of 3.51, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155203268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).