4-(4-cyclopropyl-1-methylpyrazol-3-yl)-N-[1-(3,4-difluorophenyl)piperidin-3-yl]-2-fluorobenzamide

C25H25F3N4O — CID 146585967

IUPAC4-(4-cyclopropyl-1-methylpyrazol-3-yl)-N-[1-(3,4-difluorophenyl)piperidin-3-yl]-2-fluorobenzamide
SMILESCn1cc(C2CC2)c(-c2ccc(C(=O)NC3CCCN(c4ccc(F)c(F)c4)C3)c(F)c2)n1
InChIInChI=1S/C25H25F3N4O/c1-31-14-20(15-4-5-15)24(30-31)16-6-8-19(22(27)11-16)25(33)29-17-3-2-10-32(13-17)18-7-9-21(26)23(28)12-18/h6-9,11-12,14-15,17H,2-5,10,13H2,1H3,(H,29,33)
InChIKeyQVIXUNKUVQTTLI-UHFFFAOYSA-N
MW454.50 g/mol
LogP4.78
Rot. Bonds5

About 4-(4-cyclopropyl-1-methylpyrazol-3-yl)-N-[1-(3,4-difluorophenyl)piperidin-3-yl]-2-fluorobenzamide

4-(4-cyclopropyl-1-methylpyrazol-3-yl)-N-[1-(3,4-difluorophenyl)piperidin-3-yl]-2-fluorobenzamide (PubChem CID 146585967) has the molecular formula C25H25F3N4O and a molecular weight of 454.50 g/mol. Its IUPAC name is 4-(4-cyclopropyl-1-methylpyrazol-3-yl)-N-[1-(3,4-difluorophenyl)piperidin-3-yl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-(4-cyclopropyl-1-methylpyrazol-3-yl)-N-[1-(3,4-difluorophenyl)piperidin-3-yl]-2-fluorobenzamide
PubChem CID146585967
Molecular FormulaC25H25F3N4O
Molecular Weight454.50 g/mol
Exact Mass454.20
IUPAC Name4-(4-cyclopropyl-1-methylpyrazol-3-yl)-N-[1-(3,4-difluorophenyl)piperidin-3-yl]-2-fluorobenzamide
SMILESCn1cc(C2CC2)c(-c2ccc(C(=O)NC3CCCN(c4ccc(F)c(F)c4)C3)c(F)c2)n1
InChIInChI=1S/C25H25F3N4O/c1-31-14-20(15-4-5-15)24(30-31)16-6-8-19(22(27)11-16)25(33)29-17-3-2-10-32(13-17)18-7-9-21(26)23(28)12-18/h6-9,11-12,14-15,17H,2-5,10,13H2,1H3,(H,29,33)
InChIKeyQVIXUNKUVQTTLI-UHFFFAOYSA-N
XLogP4.78
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 86783658
N-(1-cyanopyrrolidin-3-yl)-2-fluoro-4-pyrrolidin-1-ylbenzamide
CID 122590391
N-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-5-cyclopropyl-1-methylpyrazole-4-carboxamide
CID 138996050
2-fluoro-N-(1-phenylpiperidin-3-yl)benzamide
CID 136525999
(3-cyclopropyl-1-methylpyrazol-4-yl)-[4-(3,4-difluorophenyl)-1,4-diazepan-1-yl]methanone
CID 136543794
7-fluoro-2-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinoline-3-carboxamide
CID 126766818
N-[1-(4-cyanophenyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 172933795
2,5-difluoro-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]benzamide
CID 86965224
1-[[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3-[(3R)-1-methylpiperidin-3-yl]urea
CID 124839917
N-(1-cyanopyrrolidin-3-yl)-2-fluoro-4-(5-fluoro-2-methylpyrimidin-4-yl)benzamide
CID 122590417
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methylquinoline-3-carboxamide
CID 86961456
N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171993462

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropyl-1-methylpyrazol-3-yl)-N-[1-(3,4-difluorophenyl)piperidin-3-yl]-2-fluorobenzamide?
The IUPAC name of 4-(4-cyclopropyl-1-methylpyrazol-3-yl)-N-[1-(3,4-difluorophenyl)piperidin-3-yl]-2-fluorobenzamide (CID 146585967) is 4-(4-cyclopropyl-1-methylpyrazol-3-yl)-N-[1-(3,4-difluorophenyl)piperidin-3-yl]-2-fluorobenzamide.
What is the SMILES notation for 4-(4-cyclopropyl-1-methylpyrazol-3-yl)-N-[1-(3,4-difluorophenyl)piperidin-3-yl]-2-fluorobenzamide?
The canonical SMILES for 4-(4-cyclopropyl-1-methylpyrazol-3-yl)-N-[1-(3,4-difluorophenyl)piperidin-3-yl]-2-fluorobenzamide is Cn1cc(C2CC2)c(-c2ccc(C(=O)NC3CCCN(c4ccc(F)c(F)c4)C3)c(F)c2)n1.
What is the InChIKey of 4-(4-cyclopropyl-1-methylpyrazol-3-yl)-N-[1-(3,4-difluorophenyl)piperidin-3-yl]-2-fluorobenzamide?
The InChIKey is QVIXUNKUVQTTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O/c1-31-14-20(15-4-5-15)24(30-31)16-6-8-19(22(27)11-16)25(33)29-17-3-2-10-32(13-17)18-7-9-21(26)23(28)12-18/h6-9,11-12,14-15,17H,2-5,10,13H2,1H3,(H,29,33).
What are the key properties of 4-(4-cyclopropyl-1-methylpyrazol-3-yl)-N-[1-(3,4-difluorophenyl)piperidin-3-yl]-2-fluorobenzamide?
4-(4-cyclopropyl-1-methylpyrazol-3-yl)-N-[1-(3,4-difluorophenyl)piperidin-3-yl]-2-fluorobenzamide has a molecular weight of 454.50 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropyl-1-methylpyrazol-3-yl)-N-[1-(3,4-difluorophenyl)piperidin-3-yl]-2-fluorobenzamide is sourced from PubChem (CID 146585967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).