2-[(1-acetylpiperidine-4-carbonyl)amino]-N-[2-(difluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C21H25F2N7O3 — CID 156769642

IUPAC2-[(1-acetylpiperidine-4-carbonyl)amino]-N-[2-(difluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cc3n(n2)CCN(C(=O)Nc2ccnc(C(F)F)c2)C3)CC1
InChIInChI=1S/C21H25F2N7O3/c1-13(31)28-6-3-14(4-7-28)20(32)26-18-11-16-12-29(8-9-30(16)27-18)21(33)25-15-2-5-24-17(10-15)19(22)23/h2,5,10-11,14,19H,3-4,6-9,12H2,1H3,(H,24,25,33)(H,26,27,32)
InChIKeyFNDGSUZCZGIPDJ-UHFFFAOYSA-N
MW461.47 g/mol
LogP2.46
Rot. Bonds4

About 2-[(1-acetylpiperidine-4-carbonyl)amino]-N-[2-(difluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

2-[(1-acetylpiperidine-4-carbonyl)amino]-N-[2-(difluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 156769642) has the molecular formula C21H25F2N7O3 and a molecular weight of 461.47 g/mol. Its IUPAC name is 2-[(1-acetylpiperidine-4-carbonyl)amino]-N-[2-(difluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name2-[(1-acetylpiperidine-4-carbonyl)amino]-N-[2-(difluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID156769642
Molecular FormulaC21H25F2N7O3
Molecular Weight461.47 g/mol
Exact Mass461.20
IUPAC Name2-[(1-acetylpiperidine-4-carbonyl)amino]-N-[2-(difluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cc3n(n2)CCN(C(=O)Nc2ccnc(C(F)F)c2)C3)CC1
InChIInChI=1S/C21H25F2N7O3/c1-13(31)28-6-3-14(4-7-28)20(32)26-18-11-16-12-29(8-9-30(16)27-18)21(33)25-15-2-5-24-17(10-15)19(22)23/h2,5,10-11,14,19H,3-4,6-9,12H2,1H3,(H,24,25,33)(H,26,27,32)
InChIKeyFNDGSUZCZGIPDJ-UHFFFAOYSA-N
XLogP2.46
TPSA112.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.47
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-amino-2-oxopyrrolidin-1-yl)-N-[2-(difluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 145121433
2-cyclopropyl-N-[4-[(dimethylamino)methyl]-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 138025919
1-acetyl-N-(5-fluoro-2-pyridinyl)piperidine-4-carboxamide
CID 163343949
1-acetyl-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 29367836
1-acetyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-4-carboxamide
CID 60973723
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
1-acetyl-N-(3-methylsulfonylphenyl)piperidine-4-carboxamide
CID 33156130
1-acetyl-N-(2,3-dihydro-1H-inden-5-yl)piperidine-4-carboxamide
CID 6468881
5-[(1-acetylpiperidine-4-carbonyl)amino]-2-hydroxybenzoic acid
CID 108804438
1-acetyl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 51090657
1-acetyl-N-(1H-indol-5-yl)piperidine-4-carboxamide
CID 110744988
4-[(1R)-1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfanyl-1-fluoroethyl]-N-(2-fluoro-4-pyridinyl)piperidine-1-carboxamide
CID 145127418

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetylpiperidine-4-carbonyl)amino]-N-[2-(difluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of 2-[(1-acetylpiperidine-4-carbonyl)amino]-N-[2-(difluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 156769642) is 2-[(1-acetylpiperidine-4-carbonyl)amino]-N-[2-(difluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for 2-[(1-acetylpiperidine-4-carbonyl)amino]-N-[2-(difluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for 2-[(1-acetylpiperidine-4-carbonyl)amino]-N-[2-(difluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is CC(=O)N1CCC(C(=O)Nc2cc3n(n2)CCN(C(=O)Nc2ccnc(C(F)F)c2)C3)CC1.
What is the InChIKey of 2-[(1-acetylpiperidine-4-carbonyl)amino]-N-[2-(difluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is FNDGSUZCZGIPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N7O3/c1-13(31)28-6-3-14(4-7-28)20(32)26-18-11-16-12-29(8-9-30(16)27-18)21(33)25-15-2-5-24-17(10-15)19(22)23/h2,5,10-11,14,19H,3-4,6-9,12H2,1H3,(H,24,25,33)(H,26,27,32).
What are the key properties of 2-[(1-acetylpiperidine-4-carbonyl)amino]-N-[2-(difluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
2-[(1-acetylpiperidine-4-carbonyl)amino]-N-[2-(difluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 461.47 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetylpiperidine-4-carbonyl)amino]-N-[2-(difluoromethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 156769642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).