N-[1-(2,4-dichlorophenyl)piperidin-3-yl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C19H17Cl2F2N5O — CID 139007346

IUPACN-[1-(2,4-dichlorophenyl)piperidin-3-yl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NC1CCCN(c2ccc(Cl)cc2Cl)C1)c1ccc2nnc(C(F)F)n2c1
InChIInChI=1S/C19H17Cl2F2N5O/c20-12-4-5-15(14(21)8-12)27-7-1-2-13(10-27)24-19(29)11-3-6-16-25-26-18(17(22)23)28(16)9-11/h3-6,8-9,13,17H,1-2,7,10H2,(H,24,29)
InChIKeyMMUFGODKYKXDPQ-UHFFFAOYSA-N
MW440.28 g/mol
LogP4.37
Rot. Bonds4

About N-[1-(2,4-dichlorophenyl)piperidin-3-yl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-[1-(2,4-dichlorophenyl)piperidin-3-yl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 139007346) has the molecular formula C19H17Cl2F2N5O and a molecular weight of 440.28 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)piperidin-3-yl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)piperidin-3-yl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID139007346
Molecular FormulaC19H17Cl2F2N5O
Molecular Weight440.28 g/mol
Exact Mass439.08
IUPAC NameN-[1-(2,4-dichlorophenyl)piperidin-3-yl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NC1CCCN(c2ccc(Cl)cc2Cl)C1)c1ccc2nnc(C(F)F)n2c1
InChIInChI=1S/C19H17Cl2F2N5O/c20-12-4-5-15(14(21)8-12)27-7-1-2-13(10-27)24-19(29)11-3-6-16-25-26-18(17(22)23)28(16)9-11/h3-6,8-9,13,17H,1-2,7,10H2,(H,24,29)
InChIKeyMMUFGODKYKXDPQ-UHFFFAOYSA-N
XLogP4.37
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.28
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 136526255
3-(4-chlorophenyl)-N-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134788032
N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-3-fluoro-4-methoxybenzamide
CID 83275374
3,4-dichloro-N-[1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-3-yl]benzamide
CID 175425958
N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-3-fluorobenzamide
CID 53203551
3-chloro-N-cyclohexyl-11-oxopyrido[2,1-b]quinazoline-8-carboxamide
CID 5130466
N-[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171994214
N-cyclopentyl-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134800675
4-chloro-N-(1-ethylsulfonylpiperidin-3-yl)-3-fluorobenzamide
CID 146336705
N-cyclobutyl-3-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 131648928
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 86966207
1-N-cyclopentyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109044538

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)piperidin-3-yl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)piperidin-3-yl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 139007346) is N-[1-(2,4-dichlorophenyl)piperidin-3-yl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)piperidin-3-yl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)piperidin-3-yl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C(NC1CCCN(c2ccc(Cl)cc2Cl)C1)c1ccc2nnc(C(F)F)n2c1.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)piperidin-3-yl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is MMUFGODKYKXDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2F2N5O/c20-12-4-5-15(14(21)8-12)27-7-1-2-13(10-27)24-19(29)11-3-6-16-25-26-18(17(22)23)28(16)9-11/h3-6,8-9,13,17H,1-2,7,10H2,(H,24,29).
What are the key properties of N-[1-(2,4-dichlorophenyl)piperidin-3-yl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-[1-(2,4-dichlorophenyl)piperidin-3-yl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 440.28 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)piperidin-3-yl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 139007346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).