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

C20H27F2N5O2 — CID 44621195

IUPACN-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide
SMILESCC(C)(CC(=O)Nc1cc(-c2ccc(=O)n(C(F)F)c2)[nH]n1)CN1CCCCC1
InChIInChI=1S/C20H27F2N5O2/c1-20(2,13-26-8-4-3-5-9-26)11-17(28)23-16-10-15(24-25-16)14-6-7-18(29)27(12-14)19(21)22/h6-7,10,12,19H,3-5,8-9,11,13H2,1-2H3,(H2,23,24,25,28)
InChIKeyRJRSGHLNZCIYCL-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.47
Rot. Bonds7

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

N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide (PubChem CID 44621195) has the molecular formula C20H27F2N5O2 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide
PubChem CID44621195
Molecular FormulaC20H27F2N5O2
Molecular Weight407.47 g/mol
Exact Mass407.21
IUPAC NameN-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide
SMILESCC(C)(CC(=O)Nc1cc(-c2ccc(=O)n(C(F)F)c2)[nH]n1)CN1CCCCC1
InChIInChI=1S/C20H27F2N5O2/c1-20(2,13-26-8-4-3-5-9-26)11-17(28)23-16-10-15(24-25-16)14-6-7-18(29)27(12-14)19(21)22/h6-7,10,12,19H,3-5,8-9,11,13H2,1-2H3,(H2,23,24,25,28)
InChIKeyRJRSGHLNZCIYCL-UHFFFAOYSA-N
XLogP3.47
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-tert-butyl-1H-pyrazol-3-yl)-4-piperidin-1-ylbutanamide
CID 71459241
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-oxo-1,6-dihydro-pyridin-3-yl)-1H-pyrazol-3-yl]-4-piperidin-1-yl-butyramide
CID 44621228
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

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide?
The IUPAC name of N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide (CID 44621195) is N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide is CC(C)(CC(=O)Nc1cc(-c2ccc(=O)n(C(F)F)c2)[nH]n1)CN1CCCCC1.
What is the InChIKey of N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide?
The InChIKey is RJRSGHLNZCIYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N5O2/c1-20(2,13-26-8-4-3-5-9-26)11-17(28)23-16-10-15(24-25-16)14-6-7-18(29)27(12-14)19(21)22/h6-7,10,12,19H,3-5,8-9,11,13H2,1-2H3,(H2,23,24,25,28).
What are the key properties of N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide?
N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide has a molecular weight of 407.47 g/mol, XLogP of 3.47, 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]-3,3-dimethyl-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 44621195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).