N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide

C18H23F2N5O2 — CID 44621228

IUPACN-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
SMILESO=C(CCCN1CCCCC1)Nc1cc(-c2ccc(=O)n(C(F)F)c2)[nH]n1
InChIInChI=1S/C18H23F2N5O2/c19-18(20)25-12-13(6-7-17(25)27)14-11-15(23-22-14)21-16(26)5-4-10-24-8-2-1-3-9-24/h6-7,11-12,18H,1-5,8-10H2,(H2,21,22,23,26)
InChIKeyGKEWUQNSBFBPLT-UHFFFAOYSA-N
MW379.41 g/mol
LogP2.84
Rot. Bonds7

About N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide

N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide (PubChem CID 44621228) has the molecular formula C18H23F2N5O2 and a molecular weight of 379.41 g/mol. Its IUPAC name is N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
PubChem CID44621228
Molecular FormulaC18H23F2N5O2
Molecular Weight379.41 g/mol
Exact Mass379.18
IUPAC NameN-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
SMILESO=C(CCCN1CCCCC1)Nc1cc(-c2ccc(=O)n(C(F)F)c2)[nH]n1
InChIInChI=1S/C18H23F2N5O2/c19-18(20)25-12-13(6-7-17(25)27)14-11-15(23-22-14)21-16(26)5-4-10-24-8-2-1-3-9-24/h6-7,11-12,18H,1-5,8-10H2,(H2,21,22,23,26)
InChIKeyGKEWUQNSBFBPLT-UHFFFAOYSA-N
XLogP2.84
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide with MolForge

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Launch Full Analysis

Related Compounds

N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 91631985
N-[5-[1-(difluoromethyl)-6-oxopyridin-3-yl]-1H-pyrazol-3-yl]-2,2-dimethyl-4-piperidin-1-ylbutanamide
CID 44621024
N-[5-[1-(difluoromethyl)-6-oxopyridin-3-yl]-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide
CID 44621195
N-[5-[1-(difluoromethyl)-6-oxopyridin-3-yl]-1H-pyrazol-3-yl]-3-methyl-4-piperidin-1-ylbutanamide
CID 45107277
N-[5-[1-(difluoromethyl)-6-oxopyridin-3-yl]-1H-pyrazol-3-yl]-2-methyl-4-piperidin-1-ylbutanamide
CID 45107304
N-[5-[1-(difluoromethyl)-6-oxopyridin-3-yl]-1H-pyrazol-3-yl]-3-methyl-4-pyrrolidin-1-ylbutanamide
CID 59333035
N-[5-[1-(difluoromethyl)-6-oxopyridin-3-yl]-1H-pyrazol-3-yl]-3,3-dimethyl-4-pyrrolidin-1-ylbutanamide
CID 59333043
N-[5-[1-(difluoromethyl)-6-oxopyridin-3-yl]-1H-pyrazol-3-yl]-2-methyl-4-pyrrolidin-1-ylbutanamide
CID 59333086
N-[5-[1-(difluoromethyl)-6-oxopyridin-3-yl]-1H-pyrazol-3-yl]-2,2-dimethyl-4-pyrrolidin-1-ylbutanamide
CID 59333093
N-[5-[1-(difluoromethyl)-6-oxopyridin-3-yl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
CID 59333107
1-(difluoromethyl)-5-[3-[(1-hydroxy-4-piperidin-1-ylbutyl)amino]-1H-pyrazol-5-yl]pyridin-2-one
CID 91460519
3-Amino-8-[5-(dipropylamino)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-6-ethyl-1,4-dihydropyrido[4,3-c]pyridazin-5-one
CID 132236419

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
The IUPAC name of N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide (CID 44621228) is N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide is O=C(CCCN1CCCCC1)Nc1cc(-c2ccc(=O)n(C(F)F)c2)[nH]n1.
What is the InChIKey of N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
The InChIKey is GKEWUQNSBFBPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N5O2/c19-18(20)25-12-13(6-7-17(25)27)14-11-15(23-22-14)21-16(26)5-4-10-24-8-2-1-3-9-24/h6-7,11-12,18H,1-5,8-10H2,(H2,21,22,23,26).
What are the key properties of N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide has a molecular weight of 379.41 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 44621228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).