N-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxamide

C15H19F2N3O2 — CID 164639247

IUPACN-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESO=C(NCC[C@H]1CCC(F)(F)C1)c1cc2n(n1)CCCC2=O
InChIInChI=1S/C15H19F2N3O2/c16-15(17)5-3-10(9-15)4-6-18-14(22)11-8-12-13(21)2-1-7-20(12)19-11/h8,10H,1-7,9H2,(H,18,22)/t10-/m1/s1
InChIKeyAXUARDQOIDNCEH-SNVBAGLBSA-N
MW311.33 g/mol
LogP2.41
Rot. Bonds4

About N-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxamide

N-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 164639247) has the molecular formula C15H19F2N3O2 and a molecular weight of 311.33 g/mol. Its IUPAC name is N-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxamide
PubChem CID164639247
Molecular FormulaC15H19F2N3O2
Molecular Weight311.33 g/mol
Exact Mass311.14
IUPAC NameN-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESO=C(NCC[C@H]1CCC(F)(F)C1)c1cc2n(n1)CCCC2=O
InChIInChI=1S/C15H19F2N3O2/c16-15(17)5-3-10(9-15)4-6-18-14(22)11-8-12-13(21)2-1-7-20(12)19-11/h8,10H,1-7,9H2,(H,18,22)/t10-/m1/s1
InChIKeyAXUARDQOIDNCEH-SNVBAGLBSA-N
XLogP2.41
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide
CID 118433073
N-Cyclohexyl-4H,5H,6H,7H-pyrazolo[1,5-A]pyridine-2-carboxamide
CID 53014510
1-ethyl-3-isobutyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 70771440
N-Propyl-4H,5H,6H,7H-pyrazolo[1,5-A]pyridine-2-carboxamide
CID 53014492
N-(butan-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-2-carboxamide
CID 53014506
N-Cyclopentyl-4H,5H,6H,7H-pyrazolo[1,5-A]pyridine-2-carboxamide
CID 53014511
N-(Prop-2-EN-1-YL)-4H,5H,6H,7H-pyrazolo[1,5-A]pyridine-2-carboxamide
CID 53015596
3-Cyclopentyl-N-(1-{6-methyl-4-oxo-4H,5H-pyrazolo[1,5-A]pyrazine-2-carbonyl}piperidin-4-YL)propanamide
CID 91891258
1,3-Dimethyl-N-({1-methyl-2-oxo-1H,2H,3H,4H,4AH,5H,6H-cyclopenta[B]pyridin-4A-YL}methyl)-1H-pyrazole-5-carboxamide
CID 124073416
N-(4-propan-2-ylcyclohexyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
CID 136545889
5-cyclopropyl-N-[4-(difluoromethyl)cyclohexyl]-1-methylpyrazole-3-carboxamide
CID 136547209
N-[4-(difluoromethyl)cyclohexyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
CID 137995839

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of N-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxamide (CID 164639247) is N-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxamide is O=C(NCC[C@H]1CCC(F)(F)C1)c1cc2n(n1)CCCC2=O.
What is the InChIKey of N-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is AXUARDQOIDNCEH-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19F2N3O2/c16-15(17)5-3-10(9-15)4-6-18-14(22)11-8-12-13(21)2-1-7-20(12)19-11/h8,10H,1-7,9H2,(H,18,22)/t10-/m1/s1.
What are the key properties of N-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxamide?
N-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 311.33 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 164639247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).