6-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide

C20H21FN6O — CID 24864837

IUPAC6-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(N2CCN(Cc3cn[nH]c3-c3ccc(F)cc3)CC2)nc1
InChIInChI=1S/C20H21FN6O/c21-17-4-1-14(2-5-17)19-16(12-24-25-19)13-26-7-9-27(10-8-26)18-6-3-15(11-23-18)20(22)28/h1-6,11-12H,7-10,13H2,(H2,22,28)(H,24,25)
InChIKeyJWZDZWQBACLRTN-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.03
Rot. Bonds5

About 6-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide

6-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 24864837) has the molecular formula C20H21FN6O and a molecular weight of 380.43 g/mol. Its IUPAC name is 6-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide
PubChem CID24864837
Molecular FormulaC20H21FN6O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC Name6-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(N2CCN(Cc3cn[nH]c3-c3ccc(F)cc3)CC2)nc1
InChIInChI=1S/C20H21FN6O/c21-17-4-1-14(2-5-17)19-16(12-24-25-19)13-26-7-9-27(10-8-26)18-6-3-15(11-23-18)20(22)28/h1-6,11-12H,7-10,13H2,(H2,22,28)(H,24,25)
InChIKeyJWZDZWQBACLRTN-UHFFFAOYSA-N
XLogP2.03
TPSA91.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-2-pyridinyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 24864479
6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 174565375
4-[4-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 136520575
1-(4-chlorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 24865204
1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidine-3-carboxamide
CID 4528395
1-(5-chloro-2-pyridinyl)-4-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 56713825
1-(4-chloro-2-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 24865743
(2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]morpholine-2-carboxylic acid
CID 95871666
1-(2-ethoxyphenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 2812423
1-(5-chloro-2-pyridinyl)-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 26394276
6-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 69276901
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]pyridine-4-carboxamide
CID 51106897

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide (CID 24864837) is 6-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide is NC(=O)c1ccc(N2CCN(Cc3cn[nH]c3-c3ccc(F)cc3)CC2)nc1.
What is the InChIKey of 6-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is JWZDZWQBACLRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O/c21-17-4-1-14(2-5-17)19-16(12-24-25-19)13-26-7-9-27(10-8-26)18-6-3-15(11-23-18)20(22)28/h1-6,11-12H,7-10,13H2,(H2,22,28)(H,24,25).
What are the key properties of 6-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide?
6-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 24864837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).