N-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide

C24H24FN7O — CID 134533118

IUPACN-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide
SMILESCc1cc(F)c(NC(=O)c2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIInChI=1S/C24H24FN7O/c1-14(2)32-13-27-30-23(32)18-5-4-6-19(28-18)24(33)29-20-10-22(15(3)9-17(20)25)31-11-21(26-12-31)16-7-8-16/h4-6,9-14,16H,7-8H2,1-3H3,(H,29,33)
InChIKeyJHLUFWOXCUCWCD-UHFFFAOYSA-N
MW445.50 g/mol
LogP4.68
Rot. Bonds6

About N-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide

N-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide (PubChem CID 134533118) has the molecular formula C24H24FN7O and a molecular weight of 445.50 g/mol. Its IUPAC name is N-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide
PubChem CID134533118
Molecular FormulaC24H24FN7O
Molecular Weight445.50 g/mol
Exact Mass445.20
IUPAC NameN-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide
SMILESCc1cc(F)c(NC(=O)c2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIInChI=1S/C24H24FN7O/c1-14(2)32-13-27-30-23(32)18-5-4-6-19(28-18)24(33)29-20-10-22(15(3)9-17(20)25)31-11-21(26-12-31)16-7-8-16/h4-6,9-14,16H,7-8H2,1-3H3,(H,29,33)
InChIKeyJHLUFWOXCUCWCD-UHFFFAOYSA-N
XLogP4.68
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 71245288
(E)-but-2-enedioic acid;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 121439236
4-chloro-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 153293852
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[4-[(2S)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-4-methylbenzamide
CID 71245263
2-(benzylamino)-5-(4-cyclopropylimidazol-1-yl)-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 153293844
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]benzamide
CID 147621394
6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2H-1,3-benzoxazin-4-one
CID 162710738
3-(4-cyclopentyl-1,2,4-triazol-3-yl)-N-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]pyridine-2-carboxamide
CID 175026204
2-amino-5-(4-cyclopropylimidazol-1-yl)-N-[6-[4-(1-hydroxypropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-4-methylbenzamide
CID 153293866
7-(4-cyclopropylimidazol-1-yl)-6-fluoro-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]phthalazin-1-one
CID 146431077
5-(4-cyclopropylimidazol-1-yl)-2,3-difluoro-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide
CID 71245265
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[1-[(2S)-1-fluoropropan-2-yl]imidazol-2-yl]-2-pyridinyl]-4-methylbenzamide
CID 158056694

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide?
The IUPAC name of N-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide (CID 134533118) is N-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide is Cc1cc(F)c(NC(=O)c2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1.
What is the InChIKey of N-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide?
The InChIKey is JHLUFWOXCUCWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O/c1-14(2)32-13-27-30-23(32)18-5-4-6-19(28-18)24(33)29-20-10-22(15(3)9-17(20)25)31-11-21(26-12-31)16-7-8-16/h4-6,9-14,16H,7-8H2,1-3H3,(H,29,33).
What are the key properties of N-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide?
N-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide has a molecular weight of 445.50 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 134533118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).