5-[4-[3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]-N,6-dimethylpyridine-2-carboxamide

C26H30FN5O2 — CID 169149088

IUPAC5-[4-[3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]-N,6-dimethylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(N3CCC(c4cc5ccc(F)cc5c(=O)[nH]4)C3)CC2)c(C)n1
InChIInChI=1S/C26H30FN5O2/c1-16-24(6-5-22(29-16)26(34)28-2)31-11-8-20(9-12-31)32-10-7-18(15-32)23-13-17-3-4-19(27)14-21(17)25(33)30-23/h3-6,13-14,18,20H,7-12,15H2,1-2H3,(H,28,34)(H,30,33)
InChIKeyWEVKTRXQOWDUCQ-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.19
Rot. Bonds4

About 5-[4-[3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]-N,6-dimethylpyridine-2-carboxamide

5-[4-[3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]-N,6-dimethylpyridine-2-carboxamide (PubChem CID 169149088) has the molecular formula C26H30FN5O2 and a molecular weight of 463.56 g/mol. Its IUPAC name is 5-[4-[3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]-N,6-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]-N,6-dimethylpyridine-2-carboxamide
PubChem CID169149088
Molecular FormulaC26H30FN5O2
Molecular Weight463.56 g/mol
Exact Mass463.24
IUPAC Name5-[4-[3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]-N,6-dimethylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(N3CCC(c4cc5ccc(F)cc5c(=O)[nH]4)C3)CC2)c(C)n1
InChIInChI=1S/C26H30FN5O2/c1-16-24(6-5-22(29-16)26(34)28-2)31-11-8-20(9-12-31)32-10-7-18(15-32)23-13-17-3-4-19(27)14-21(17)25(33)30-23/h3-6,13-14,18,20H,7-12,15H2,1-2H3,(H,28,34)(H,30,33)
InChIKeyWEVKTRXQOWDUCQ-UHFFFAOYSA-N
XLogP3.19
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-5-[4-[3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 169149026
5-[4-[3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methyl-4-(trifluoromethyl)pyridine-2-carboxamide
CID 169149111
5-[4-[3-(7-chloro-1-oxo-2H-isoquinolin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 169148762
6-fluoro-N-methyl-5-[4-[3-(6-oxo-5-propyl-1H-pyridin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
CID 169148659
5-[4-[(1S,3R)-3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)cyclopentyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 176964801
5-[4-[3-(8-fluoro-1-oxo-2H-isoquinolin-3-yl)cyclopentyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
CID 176964668
5-[4-[3-(6-fluoro-4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 169148805
N-methyl-4-[4-[3-(1-oxo-2H-isoquinolin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]thiophene-2-carboxamide
CID 169148571
5-[1-[(1R,3R)-3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)cyclopentyl]azetidin-3-yl]oxy-N-methylpyridine-2-carboxamide
CID 176964506
5-[4-[3-(3-fluoro-4-oxo-5H-pyrazolo[1,5-a]pyrazin-6-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176689709
6-fluoro-N-methyl-5-[4-[3-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
CID 176748248
N-(2,2-difluoroethyl)-5-[4-[3-(5-ethyl-6-oxo-1H-pyridin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]-6-fluoropyridine-2-carboxamide
CID 169149184

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]-N,6-dimethylpyridine-2-carboxamide?
The IUPAC name of 5-[4-[3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]-N,6-dimethylpyridine-2-carboxamide (CID 169149088) is 5-[4-[3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]-N,6-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]-N,6-dimethylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-[3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]-N,6-dimethylpyridine-2-carboxamide is CNC(=O)c1ccc(N2CCC(N3CCC(c4cc5ccc(F)cc5c(=O)[nH]4)C3)CC2)c(C)n1.
What is the InChIKey of 5-[4-[3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]-N,6-dimethylpyridine-2-carboxamide?
The InChIKey is WEVKTRXQOWDUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O2/c1-16-24(6-5-22(29-16)26(34)28-2)31-11-8-20(9-12-31)32-10-7-18(15-32)23-13-17-3-4-19(27)14-21(17)25(33)30-23/h3-6,13-14,18,20H,7-12,15H2,1-2H3,(H,28,34)(H,30,33).
What are the key properties of 5-[4-[3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]-N,6-dimethylpyridine-2-carboxamide?
5-[4-[3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]-N,6-dimethylpyridine-2-carboxamide has a molecular weight of 463.56 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]-N,6-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 169149088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).