N-[3-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide

C25H22N6O4 — CID 53087736

IUPACN-[3-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCN(C(=O)c3cc(-c4ccncc4)n[nH]3)CC2)c1)c1ccco1
InChIInChI=1S/C25H22N6O4/c32-23(22-5-2-14-35-22)27-19-4-1-3-18(15-19)24(33)30-10-12-31(13-11-30)25(34)21-16-20(28-29-21)17-6-8-26-9-7-17/h1-9,14-16H,10-13H2,(H,27,32)(H,28,29)
InChIKeyYQHHEAMBOHHLIE-UHFFFAOYSA-N
MW470.49 g/mol
LogP2.92
Rot. Bonds5

About N-[3-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide

N-[3-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide (PubChem CID 53087736) has the molecular formula C25H22N6O4 and a molecular weight of 470.49 g/mol. Its IUPAC name is N-[3-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
PubChem CID53087736
Molecular FormulaC25H22N6O4
Molecular Weight470.49 g/mol
Exact Mass470.17
IUPAC NameN-[3-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCN(C(=O)c3cc(-c4ccncc4)n[nH]3)CC2)c1)c1ccco1
InChIInChI=1S/C25H22N6O4/c32-23(22-5-2-14-35-22)27-19-4-1-3-18(15-19)24(33)30-10-12-31(13-11-30)25(34)21-16-20(28-29-21)17-6-8-26-9-7-17/h1-9,14-16H,10-13H2,(H,27,32)(H,28,29)
InChIKeyYQHHEAMBOHHLIE-UHFFFAOYSA-N
XLogP2.92
TPSA124.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.49
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone
CID 53087557
N-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 110897057
3-(4-fluorophenyl)-N-[3-(morpholine-4-carbonyl)phenyl]-1H-pyrazole-5-carboxamide
CID 86996526
furan-3-yl-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 53087781
N-[3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843452
(4-tert-butylphenyl)-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 53087727
N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 25049788
N-[3-[4-(furan-2-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]prop-2-enamide
CID 166407190
pyridin-2-yl-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 53087752
N-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide
CID 34471106
N-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]furan-2-carboxamide
CID 110732473
N-[3-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]furan-2-carboxamide
CID 53064623

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide (CID 53087736) is N-[3-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide is O=C(Nc1cccc(C(=O)N2CCN(C(=O)c3cc(-c4ccncc4)n[nH]3)CC2)c1)c1ccco1.
What is the InChIKey of N-[3-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide?
The InChIKey is YQHHEAMBOHHLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O4/c32-23(22-5-2-14-35-22)27-19-4-1-3-18(15-19)24(33)30-10-12-31(13-11-30)25(34)21-16-20(28-29-21)17-6-8-26-9-7-17/h1-9,14-16H,10-13H2,(H,27,32)(H,28,29).
What are the key properties of N-[3-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide?
N-[3-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide has a molecular weight of 470.49 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 53087736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).