3-[(2-chlorobenzoyl)amino]-4-fluoro-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide

C23H24ClFN6O2 — CID 23630811

IUPAC3-[(2-chlorobenzoyl)amino]-4-fluoro-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1n[nH]c(C(=O)NCCC2CCN(c3ccncc3)CC2)c1F)c1ccccc1Cl
InChIInChI=1S/C23H24ClFN6O2/c24-18-4-2-1-3-17(18)22(32)28-21-19(25)20(29-30-21)23(33)27-12-5-15-8-13-31(14-9-15)16-6-10-26-11-7-16/h1-4,6-7,10-11,15H,5,8-9,12-14H2,(H,27,33)(H2,28,29,30,32)
InChIKeyKUEYVSCPUYPBRM-UHFFFAOYSA-N
MW470.94 g/mol
LogP3.89
Rot. Bonds7

About 3-[(2-chlorobenzoyl)amino]-4-fluoro-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide

3-[(2-chlorobenzoyl)amino]-4-fluoro-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 23630811) has the molecular formula C23H24ClFN6O2 and a molecular weight of 470.94 g/mol. Its IUPAC name is 3-[(2-chlorobenzoyl)amino]-4-fluoro-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[(2-chlorobenzoyl)amino]-4-fluoro-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID23630811
Molecular FormulaC23H24ClFN6O2
Molecular Weight470.94 g/mol
Exact Mass470.16
IUPAC Name3-[(2-chlorobenzoyl)amino]-4-fluoro-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1n[nH]c(C(=O)NCCC2CCN(c3ccncc3)CC2)c1F)c1ccccc1Cl
InChIInChI=1S/C23H24ClFN6O2/c24-18-4-2-1-3-17(18)22(32)28-21-19(25)20(29-30-21)23(33)27-12-5-15-8-13-31(14-9-15)16-6-10-26-11-7-16/h1-4,6-7,10-11,15H,5,8-9,12-14H2,(H,27,33)(H2,28,29,30,32)
InChIKeyKUEYVSCPUYPBRM-UHFFFAOYSA-N
XLogP3.89
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.94
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorobenzoyl)amino]-4-fluoro-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-[(2-chlorobenzoyl)amino]-4-fluoro-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide (CID 23630811) is 3-[(2-chlorobenzoyl)amino]-4-fluoro-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-[(2-chlorobenzoyl)amino]-4-fluoro-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-[(2-chlorobenzoyl)amino]-4-fluoro-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide is O=C(Nc1n[nH]c(C(=O)NCCC2CCN(c3ccncc3)CC2)c1F)c1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorobenzoyl)amino]-4-fluoro-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is KUEYVSCPUYPBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN6O2/c24-18-4-2-1-3-17(18)22(32)28-21-19(25)20(29-30-21)23(33)27-12-5-15-8-13-31(14-9-15)16-6-10-26-11-7-16/h1-4,6-7,10-11,15H,5,8-9,12-14H2,(H,27,33)(H2,28,29,30,32).
What are the key properties of 3-[(2-chlorobenzoyl)amino]-4-fluoro-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide?
3-[(2-chlorobenzoyl)amino]-4-fluoro-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 470.94 g/mol, XLogP of 3.89, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorobenzoyl)amino]-4-fluoro-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 23630811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).