4-(3-chloro-4-pyridinyl)-N-(6-pyrazol-1-yl-3-pyridinyl)piperazine-1-carboxamide

C18H18ClN7O — CID 126774893

IUPAC4-(3-chloro-4-pyridinyl)-N-(6-pyrazol-1-yl-3-pyridinyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)nc1)N1CCN(c2ccncc2Cl)CC1
InChIInChI=1S/C18H18ClN7O/c19-15-13-20-6-4-16(15)24-8-10-25(11-9-24)18(27)23-14-2-3-17(21-12-14)26-7-1-5-22-26/h1-7,12-13H,8-11H2,(H,23,27)
InChIKeyYOKMOWKFPRSZTM-UHFFFAOYSA-N
MW383.84 g/mol
LogP2.67
Rot. Bonds3

About 4-(3-chloro-4-pyridinyl)-N-(6-pyrazol-1-yl-3-pyridinyl)piperazine-1-carboxamide

4-(3-chloro-4-pyridinyl)-N-(6-pyrazol-1-yl-3-pyridinyl)piperazine-1-carboxamide (PubChem CID 126774893) has the molecular formula C18H18ClN7O and a molecular weight of 383.84 g/mol. Its IUPAC name is 4-(3-chloro-4-pyridinyl)-N-(6-pyrazol-1-yl-3-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-pyridinyl)-N-(6-pyrazol-1-yl-3-pyridinyl)piperazine-1-carboxamide
PubChem CID126774893
Molecular FormulaC18H18ClN7O
Molecular Weight383.84 g/mol
Exact Mass383.13
IUPAC Name4-(3-chloro-4-pyridinyl)-N-(6-pyrazol-1-yl-3-pyridinyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)nc1)N1CCN(c2ccncc2Cl)CC1
InChIInChI=1S/C18H18ClN7O/c19-15-13-20-6-4-16(15)24-8-10-25(11-9-24)18(27)23-14-2-3-17(21-12-14)26-7-1-5-22-26/h1-7,12-13H,8-11H2,(H,23,27)
InChIKeyYOKMOWKFPRSZTM-UHFFFAOYSA-N
XLogP2.67
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-chloro-4-pyridinyl)-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 75507946
N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 47153389
1-[(3-chloro-4-pyrazol-1-ylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122078984
N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 43698782
N-(4-methylphenyl)-4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 47001582
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6-pyrazol-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 47000985
N-[3-(difluoromethoxy)phenyl]-4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 122337180
N-(3-chloro-4-fluorophenyl)-4-(3-methyl-4-pyridinyl)-1,4-diazepane-1-carboxamide
CID 118068196
N-(3-methylphenyl)-4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 50946576
4-(3-chloro-4-pyridinyl)-N-[2-(2-methoxyethyl)phenyl]piperazine-1-carboxamide
CID 126794330
3-chloro-N-(4-pyrazol-1-ylphenyl)pyridine-4-carboxamide
CID 66483325
4-pyridin-2-yl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 18101774

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-pyridinyl)-N-(6-pyrazol-1-yl-3-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-chloro-4-pyridinyl)-N-(6-pyrazol-1-yl-3-pyridinyl)piperazine-1-carboxamide (CID 126774893) is 4-(3-chloro-4-pyridinyl)-N-(6-pyrazol-1-yl-3-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chloro-4-pyridinyl)-N-(6-pyrazol-1-yl-3-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chloro-4-pyridinyl)-N-(6-pyrazol-1-yl-3-pyridinyl)piperazine-1-carboxamide is O=C(Nc1ccc(-n2cccn2)nc1)N1CCN(c2ccncc2Cl)CC1.
What is the InChIKey of 4-(3-chloro-4-pyridinyl)-N-(6-pyrazol-1-yl-3-pyridinyl)piperazine-1-carboxamide?
The InChIKey is YOKMOWKFPRSZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN7O/c19-15-13-20-6-4-16(15)24-8-10-25(11-9-24)18(27)23-14-2-3-17(21-12-14)26-7-1-5-22-26/h1-7,12-13H,8-11H2,(H,23,27).
What are the key properties of 4-(3-chloro-4-pyridinyl)-N-(6-pyrazol-1-yl-3-pyridinyl)piperazine-1-carboxamide?
4-(3-chloro-4-pyridinyl)-N-(6-pyrazol-1-yl-3-pyridinyl)piperazine-1-carboxamide has a molecular weight of 383.84 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-pyridinyl)-N-(6-pyrazol-1-yl-3-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 126774893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).