8-chloro-N-[4-[1-(4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C25H25Cl2N7O2 — CID 171681034

IUPAC8-chloro-N-[4-[1-(4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCCc1nn(C)c(C(=O)N2CCC(c3ccc(NC(=O)c4cc(Cl)c5nncn5c4)cc3)CC2)c1Cl
InChIInChI=1S/C25H25Cl2N7O2/c1-3-20-21(27)22(32(2)31-20)25(36)33-10-8-16(9-11-33)15-4-6-18(7-5-15)29-24(35)17-12-19(26)23-30-28-14-34(23)13-17/h4-7,12-14,16H,3,8-11H2,1-2H3,(H,29,35)
InChIKeyQSAOUVGAHFNAOL-UHFFFAOYSA-N
MW526.43 g/mol
LogP4.60
Rot. Bonds5

About 8-chloro-N-[4-[1-(4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

8-chloro-N-[4-[1-(4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 171681034) has the molecular formula C25H25Cl2N7O2 and a molecular weight of 526.43 g/mol. Its IUPAC name is 8-chloro-N-[4-[1-(4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name8-chloro-N-[4-[1-(4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID171681034
Molecular FormulaC25H25Cl2N7O2
Molecular Weight526.43 g/mol
Exact Mass525.14
IUPAC Name8-chloro-N-[4-[1-(4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCCc1nn(C)c(C(=O)N2CCC(c3ccc(NC(=O)c4cc(Cl)c5nncn5c4)cc3)CC2)c1Cl
InChIInChI=1S/C25H25Cl2N7O2/c1-3-20-21(27)22(32(2)31-20)25(36)33-10-8-16(9-11-33)15-4-6-18(7-5-15)29-24(35)17-12-19(26)23-30-28-14-34(23)13-17/h4-7,12-14,16H,3,8-11H2,1-2H3,(H,29,35)
InChIKeyQSAOUVGAHFNAOL-UHFFFAOYSA-N
XLogP4.60
TPSA97.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.43
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-chloro-N-[4-[1-(4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide with MolForge

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Related Compounds

6-chloro-2-ethyl-N-[4-[1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171678357
(E)-N-[4-[1-(4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]phenyl]-3-(2-nitrophenyl)prop-2-enamide
CID 171684115
N-[4-[1-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 171678131
N-[4-[1-(4,5-dichloro-2-fluorobenzoyl)piperidin-4-yl]phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 171683468
6-chloro-N-[2-methyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 118144180
4-chloro-N-(4-iodophenyl)-1-methyl-3-propylpyrazole-5-carboxamide
CID 985907
methyl 4-[(4-chloro-1-methyl-3-propylpyrazole-5-carbonyl)amino]benzoate
CID 850812
ethyl 4-[[4-[1-(quinazoline-6-carbonyl)piperidin-4-yl]phenyl]carbamoyl]benzoate
CID 171684166
4-chloro-3-ethyl-N-[(4-ethylphenyl)methyl]-1-methylpyrazole-5-carboxamide
CID 14460827
[4-[4-(aminomethyl)phenyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone
CID 171356356
N-[4-[1-(2,4-dichloro-3-methylbenzoyl)piperidin-4-yl]phenyl]-4-(2-methylimidazol-1-yl)butanamide
CID 171681156
3-chloro-4-(4-ethylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 118431005

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[4-[1-(4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 8-chloro-N-[4-[1-(4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 171681034) is 8-chloro-N-[4-[1-(4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 8-chloro-N-[4-[1-(4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 8-chloro-N-[4-[1-(4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CCc1nn(C)c(C(=O)N2CCC(c3ccc(NC(=O)c4cc(Cl)c5nncn5c4)cc3)CC2)c1Cl.
What is the InChIKey of 8-chloro-N-[4-[1-(4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is QSAOUVGAHFNAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2N7O2/c1-3-20-21(27)22(32(2)31-20)25(36)33-10-8-16(9-11-33)15-4-6-18(7-5-15)29-24(35)17-12-19(26)23-30-28-14-34(23)13-17/h4-7,12-14,16H,3,8-11H2,1-2H3,(H,29,35).
What are the key properties of 8-chloro-N-[4-[1-(4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
8-chloro-N-[4-[1-(4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 526.43 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[4-[1-(4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 171681034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).