4-fluoro-N,N-dimethyl-7-propan-2-yl-5-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide

C25H29FN4O3 — CID 176932179

IUPAC4-fluoro-N,N-dimethyl-7-propan-2-yl-5-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide
SMILESCC(C)c1cc(C2=CCCN(C(=O)CCn3cccn3)C2)c(F)c2cc(C(=O)N(C)C)oc12
InChIInChI=1S/C25H29FN4O3/c1-16(2)18-13-19(23(26)20-14-21(33-24(18)20)25(32)28(3)4)17-7-5-10-29(15-17)22(31)8-12-30-11-6-9-27-30/h6-7,9,11,13-14,16H,5,8,10,12,15H2,1-4H3
InChIKeyUYRWGBRYZUFZMU-UHFFFAOYSA-N
MW452.53 g/mol
LogP4.30
Rot. Bonds6

About 4-fluoro-N,N-dimethyl-7-propan-2-yl-5-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide

4-fluoro-N,N-dimethyl-7-propan-2-yl-5-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide (PubChem CID 176932179) has the molecular formula C25H29FN4O3 and a molecular weight of 452.53 g/mol. Its IUPAC name is 4-fluoro-N,N-dimethyl-7-propan-2-yl-5-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N,N-dimethyl-7-propan-2-yl-5-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide
PubChem CID176932179
Molecular FormulaC25H29FN4O3
Molecular Weight452.53 g/mol
Exact Mass452.22
IUPAC Name4-fluoro-N,N-dimethyl-7-propan-2-yl-5-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide
SMILESCC(C)c1cc(C2=CCCN(C(=O)CCn3cccn3)C2)c(F)c2cc(C(=O)N(C)C)oc12
InChIInChI=1S/C25H29FN4O3/c1-16(2)18-13-19(23(26)20-14-21(33-24(18)20)25(32)28(3)4)17-7-5-10-29(15-17)22(31)8-12-30-11-6-9-27-30/h6-7,9,11,13-14,16H,5,8,10,12,15H2,1-4H3
InChIKeyUYRWGBRYZUFZMU-UHFFFAOYSA-N
XLogP4.30
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N,N-dimethyl-7-propan-2-yl-5-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N'-[(2-hydroxy-1-naphthyl)methylene]-5-(1H-pyrazol-1-ylmethyl)-2-furohydrazide
CID 135401433
(3-methyl-1-benzofuran-2-yl)(4-methyl-1H-pyrazol-1-yl)methanone
CID 1246317
N'-(4-isopropylbenzylidene)-5-(1H-pyrazol-1-ylmethyl)-2-furohydrazide
CID 5412129
3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-propyl-1-benzofuran-2-carboxamide
CID 24793128
7-fluoro-N,3-dimethyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide
CID 24794222
(R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoethylcarbamoyl)furan-2-yl)benzyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 46934733
(R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoethylcarbamoyl)furan-2-yl)benzyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 49865326
N,3-dimethyl-5-propyl-N-(1H-pyrazol-5-ylmethyl)-1-benzofuran-2-carboxamide
CID 24791262
7-chloro-N,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide
CID 24792956
3-methyl-N-(2-oxolanylmethyl)-5-propyl-N-(pyridin-4-ylmethyl)-2-benzofurancarboxamide
CID 24817051
3,5-dimethyl-N-(4-pyridinylmethyl)-N-(tetrahydro-2-furanylmethyl)-1-benzofuran-2-carboxamide
CID 24818957
[5-(2,4-Difluorophenyl)furan-2-yl]-pyrazol-1-ylmethanone
CID 56834430

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,N-dimethyl-7-propan-2-yl-5-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 4-fluoro-N,N-dimethyl-7-propan-2-yl-5-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide (CID 176932179) is 4-fluoro-N,N-dimethyl-7-propan-2-yl-5-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 4-fluoro-N,N-dimethyl-7-propan-2-yl-5-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 4-fluoro-N,N-dimethyl-7-propan-2-yl-5-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide is CC(C)c1cc(C2=CCCN(C(=O)CCn3cccn3)C2)c(F)c2cc(C(=O)N(C)C)oc12.
What is the InChIKey of 4-fluoro-N,N-dimethyl-7-propan-2-yl-5-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide?
The InChIKey is UYRWGBRYZUFZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O3/c1-16(2)18-13-19(23(26)20-14-21(33-24(18)20)25(32)28(3)4)17-7-5-10-29(15-17)22(31)8-12-30-11-6-9-27-30/h6-7,9,11,13-14,16H,5,8,10,12,15H2,1-4H3.
What are the key properties of 4-fluoro-N,N-dimethyl-7-propan-2-yl-5-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide?
4-fluoro-N,N-dimethyl-7-propan-2-yl-5-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide has a molecular weight of 452.53 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,N-dimethyl-7-propan-2-yl-5-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 176932179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).