N-[2-(6-cyclopropyl-2-pyridinyl)-2-(1-methylpyrazol-4-yl)propyl]-1-(2,4-difluorophenyl)triazole-4-carboxamide

C24H23F2N7O — CID 171488960

IUPACN-[2-(6-cyclopropyl-2-pyridinyl)-2-(1-methylpyrazol-4-yl)propyl]-1-(2,4-difluorophenyl)triazole-4-carboxamide
SMILESCn1cc(C(C)(CNC(=O)c2cn(-c3ccc(F)cc3F)nn2)c2cccc(C3CC3)n2)cn1
InChIInChI=1S/C24H23F2N7O/c1-24(16-11-28-32(2)12-16,22-5-3-4-19(29-22)15-6-7-15)14-27-23(34)20-13-33(31-30-20)21-9-8-17(25)10-18(21)26/h3-5,8-13,15H,6-7,14H2,1-2H3,(H,27,34)
InChIKeyJBHJAOFNWIXSNC-UHFFFAOYSA-N
MW463.49 g/mol
LogP3.29
Rot. Bonds7

About N-[2-(6-cyclopropyl-2-pyridinyl)-2-(1-methylpyrazol-4-yl)propyl]-1-(2,4-difluorophenyl)triazole-4-carboxamide

N-[2-(6-cyclopropyl-2-pyridinyl)-2-(1-methylpyrazol-4-yl)propyl]-1-(2,4-difluorophenyl)triazole-4-carboxamide (PubChem CID 171488960) has the molecular formula C24H23F2N7O and a molecular weight of 463.49 g/mol. Its IUPAC name is N-[2-(6-cyclopropyl-2-pyridinyl)-2-(1-methylpyrazol-4-yl)propyl]-1-(2,4-difluorophenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(6-cyclopropyl-2-pyridinyl)-2-(1-methylpyrazol-4-yl)propyl]-1-(2,4-difluorophenyl)triazole-4-carboxamide
PubChem CID171488960
Molecular FormulaC24H23F2N7O
Molecular Weight463.49 g/mol
Exact Mass463.19
IUPAC NameN-[2-(6-cyclopropyl-2-pyridinyl)-2-(1-methylpyrazol-4-yl)propyl]-1-(2,4-difluorophenyl)triazole-4-carboxamide
SMILESCn1cc(C(C)(CNC(=O)c2cn(-c3ccc(F)cc3F)nn2)c2cccc(C3CC3)n2)cn1
InChIInChI=1S/C24H23F2N7O/c1-24(16-11-28-32(2)12-16,22-5-3-4-19(29-22)15-6-7-15)14-27-23(34)20-13-33(31-30-20)21-9-8-17(25)10-18(21)26/h3-5,8-13,15H,6-7,14H2,1-2H3,(H,27,34)
InChIKeyJBHJAOFNWIXSNC-UHFFFAOYSA-N
XLogP3.29
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4,5-dichloro-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-1-(2-fluorophenyl)triazole-4-carboxamide
CID 177043581
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1-(3-methylphenyl)triazole-4-carboxamide
CID 111458491
N-[2-(4-cyano-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-2-(2,4-difluorophenyl)tetrazole-5-carboxamide
CID 177043584
1-(2-chloro-4-methylphenyl)-N-[2-(6-chloro-2-pyridinyl)-2-(1-methylpyrazol-4-yl)propyl]-5-methyltriazole-4-carboxamide
CID 177169501
N-[2-(2,5-dichloro-1,3-thiazol-4-yl)-2-(1-methylpyrazol-4-yl)propyl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 168934091
N-[2-(4-chloro-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 168934073
N-[2-(5-cyano-1-methylpyrazol-4-yl)-2-(4-cyclopropyl-1,3-thiazol-2-yl)propyl]-2-(2,4-difluorophenyl)tetrazole-5-carboxamide
CID 178118286
4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]piperidine-3-carboxylic acid
CID 134209263
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-methyltriazole-4-carboxamide
CID 99873884
5-fluoro-2-hydroxy-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111664836
N-[2-(6-chloro-2-pyridinyl)-2-(1-methylpyrazol-4-yl)butyl]-5-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 167452006
N-[2-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(5-methoxy-1-methylpyrazol-4-yl)propyl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 178118267

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-cyclopropyl-2-pyridinyl)-2-(1-methylpyrazol-4-yl)propyl]-1-(2,4-difluorophenyl)triazole-4-carboxamide?
The IUPAC name of N-[2-(6-cyclopropyl-2-pyridinyl)-2-(1-methylpyrazol-4-yl)propyl]-1-(2,4-difluorophenyl)triazole-4-carboxamide (CID 171488960) is N-[2-(6-cyclopropyl-2-pyridinyl)-2-(1-methylpyrazol-4-yl)propyl]-1-(2,4-difluorophenyl)triazole-4-carboxamide.
What is the SMILES notation for N-[2-(6-cyclopropyl-2-pyridinyl)-2-(1-methylpyrazol-4-yl)propyl]-1-(2,4-difluorophenyl)triazole-4-carboxamide?
The canonical SMILES for N-[2-(6-cyclopropyl-2-pyridinyl)-2-(1-methylpyrazol-4-yl)propyl]-1-(2,4-difluorophenyl)triazole-4-carboxamide is Cn1cc(C(C)(CNC(=O)c2cn(-c3ccc(F)cc3F)nn2)c2cccc(C3CC3)n2)cn1.
What is the InChIKey of N-[2-(6-cyclopropyl-2-pyridinyl)-2-(1-methylpyrazol-4-yl)propyl]-1-(2,4-difluorophenyl)triazole-4-carboxamide?
The InChIKey is JBHJAOFNWIXSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N7O/c1-24(16-11-28-32(2)12-16,22-5-3-4-19(29-22)15-6-7-15)14-27-23(34)20-13-33(31-30-20)21-9-8-17(25)10-18(21)26/h3-5,8-13,15H,6-7,14H2,1-2H3,(H,27,34).
What are the key properties of N-[2-(6-cyclopropyl-2-pyridinyl)-2-(1-methylpyrazol-4-yl)propyl]-1-(2,4-difluorophenyl)triazole-4-carboxamide?
N-[2-(6-cyclopropyl-2-pyridinyl)-2-(1-methylpyrazol-4-yl)propyl]-1-(2,4-difluorophenyl)triazole-4-carboxamide has a molecular weight of 463.49 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-cyclopropyl-2-pyridinyl)-2-(1-methylpyrazol-4-yl)propyl]-1-(2,4-difluorophenyl)triazole-4-carboxamide is sourced from PubChem (CID 171488960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).