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

C22H26FN7O2 — CID 176689709

IUPAC5-[4-[3-(3-fluoro-4-oxo-5H-pyrazolo[1,5-a]pyrazin-6-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(N3CCC(c4cn5ncc(F)c5c(=O)[nH]4)C3)CC2)cn1
InChIInChI=1S/C22H26FN7O2/c1-24-21(31)18-3-2-16(10-25-18)28-8-5-15(6-9-28)29-7-4-14(12-29)19-13-30-20(22(32)27-19)17(23)11-26-30/h2-3,10-11,13-15H,4-9,12H2,1H3,(H,24,31)(H,27,32)
InChIKeyRILVHUYVPFOMAP-UHFFFAOYSA-N
MW439.50 g/mol
LogP1.37
Rot. Bonds4

About 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

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 (PubChem CID 176689709) has the molecular formula C22H26FN7O2 and a molecular weight of 439.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[4-[3-(3-fluoro-4-oxo-5H-pyrazolo[1,5-a]pyrazin-6-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
PubChem CID176689709
Molecular FormulaC22H26FN7O2
Molecular Weight439.50 g/mol
Exact Mass439.21
IUPAC Name5-[4-[3-(3-fluoro-4-oxo-5H-pyrazolo[1,5-a]pyrazin-6-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(N3CCC(c4cn5ncc(F)c5c(=O)[nH]4)C3)CC2)cn1
InChIInChI=1S/C22H26FN7O2/c1-24-21(31)18-3-2-16(10-25-18)28-8-5-15(6-9-28)29-7-4-14(12-29)19-13-30-20(22(32)27-19)17(23)11-26-30/h2-3,10-11,13-15H,4-9,12H2,1H3,(H,24,31)(H,27,32)
InChIKeyRILVHUYVPFOMAP-UHFFFAOYSA-N
XLogP1.37
TPSA98.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-5-[4-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
CID 176689658
5-[4-[3-(7-chloro-1-oxo-2H-isoquinolin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 169148762
N-methyl-5-[4-[3-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
CID 169148887
N-methyl-5-[4-[3-(4-oxo-3H-pyrimido[4,5-d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
CID 169148652
N-methyl-5-[4-[3-[6-oxo-5-(trifluoromethyl)-1H-pyrimidin-2-yl]piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
CID 169148771
5-[4-[4-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 169149167
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-5-[4-[3-(3-methyl-4-oxo-5H-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
CID 170123508
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,6-dimethylpyridine-2-carboxamide
CID 169149088
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-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748280

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC(=O)c1ccc(N2CCC(N3CCC(c4cn5ncc(F)c5c(=O)[nH]4)C3)CC2)cn1.
What is the InChIKey of 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?
The InChIKey is RILVHUYVPFOMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN7O2/c1-24-21(31)18-3-2-16(10-25-18)28-8-5-15(6-9-28)29-7-4-14(12-29)19-13-30-20(22(32)27-19)17(23)11-26-30/h2-3,10-11,13-15H,4-9,12H2,1H3,(H,24,31)(H,27,32).
What are the key properties of 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?
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 has a molecular weight of 439.50 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176689709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).