5-(4-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrazole-4-carboxamide

C19H17FN6O2 — CID 38940282

IUPAC5-(4-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrazole-4-carboxamide
SMILESO=C1CN(c2ccc(NC(=O)c3cn[nH]c3-c3ccc(F)cc3)cn2)CCN1
InChIInChI=1S/C19H17FN6O2/c20-13-3-1-12(2-4-13)18-15(10-23-25-18)19(28)24-14-5-6-16(22-9-14)26-8-7-21-17(27)11-26/h1-6,9-10H,7-8,11H2,(H,21,27)(H,23,25)(H,24,28)
InChIKeyFSLVHMKAGUWJEU-UHFFFAOYSA-N
MW380.38 g/mol
LogP1.80
Rot. Bonds4

About 5-(4-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrazole-4-carboxamide

5-(4-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrazole-4-carboxamide (PubChem CID 38940282) has the molecular formula C19H17FN6O2 and a molecular weight of 380.38 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrazole-4-carboxamide
PubChem CID38940282
Molecular FormulaC19H17FN6O2
Molecular Weight380.38 g/mol
Exact Mass380.14
IUPAC Name5-(4-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrazole-4-carboxamide
SMILESO=C1CN(c2ccc(NC(=O)c3cn[nH]c3-c3ccc(F)cc3)cn2)CCN1
InChIInChI=1S/C19H17FN6O2/c20-13-3-1-12(2-4-13)18-15(10-23-25-18)19(28)24-14-5-6-16(22-9-14)26-8-7-21-17(27)11-26/h1-6,9-10H,7-8,11H2,(H,21,27)(H,23,25)(H,24,28)
InChIKeyFSLVHMKAGUWJEU-UHFFFAOYSA-N
XLogP1.80
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 38941036
4-bromo-2-chloro-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 60511463
4-bromo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 38941033
2-methoxy-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-3-carboxamide
CID 38940028
3-iodo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 38940951
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 38940142
5-(2-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 47029066
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazole-4-carboxamide
CID 24610816
N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-piperidin-4-ylbutanamide
CID 119846038
1-(3-bromophenyl)-2,5-dimethyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyrrole-3-carboxamide
CID 60544873
4-(2-methylsulfanylimidazol-1-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 51117639
5-(4-fluorophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-pyrazole-4-carboxamide
CID 24620569

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrazole-4-carboxamide (CID 38940282) is 5-(4-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrazole-4-carboxamide is O=C1CN(c2ccc(NC(=O)c3cn[nH]c3-c3ccc(F)cc3)cn2)CCN1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrazole-4-carboxamide?
The InChIKey is FSLVHMKAGUWJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O2/c20-13-3-1-12(2-4-13)18-15(10-23-25-18)19(28)24-14-5-6-16(22-9-14)26-8-7-21-17(27)11-26/h1-6,9-10H,7-8,11H2,(H,21,27)(H,23,25)(H,24,28).
What are the key properties of 5-(4-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrazole-4-carboxamide?
5-(4-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrazole-4-carboxamide has a molecular weight of 380.38 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 38940282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).