5-(4-cyclopropylimidazol-1-yl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methylbenzamide

C24H23N7O — CID 58102982

IUPAC5-(4-cyclopropylimidazol-1-yl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methylbenzamide
SMILESCc1ccc(-n2cnc(C3CC3)c2)cc1C(=O)Nc1cccc(-c2nncn2C2CC2)n1
InChIInChI=1S/C24H23N7O/c1-15-5-8-18(30-12-21(25-13-30)16-6-7-16)11-19(15)24(32)28-22-4-2-3-20(27-22)23-29-26-14-31(23)17-9-10-17/h2-5,8,11-14,16-17H,6-7,9-10H2,1H3,(H,27,28,32)
InChIKeyHBAWHKLKYGOHCQ-UHFFFAOYSA-N
MW425.50 g/mol
LogP4.30
Rot. Bonds6

About 5-(4-cyclopropylimidazol-1-yl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methylbenzamide

5-(4-cyclopropylimidazol-1-yl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methylbenzamide (PubChem CID 58102982) has the molecular formula C24H23N7O and a molecular weight of 425.50 g/mol. Its IUPAC name is 5-(4-cyclopropylimidazol-1-yl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(4-cyclopropylimidazol-1-yl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methylbenzamide
PubChem CID58102982
Molecular FormulaC24H23N7O
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC Name5-(4-cyclopropylimidazol-1-yl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methylbenzamide
SMILESCc1ccc(-n2cnc(C3CC3)c2)cc1C(=O)Nc1cccc(-c2nncn2C2CC2)n1
InChIInChI=1S/C24H23N7O/c1-15-5-8-18(30-12-21(25-13-30)16-6-7-16)11-19(15)24(32)28-22-4-2-3-20(27-22)23-29-26-14-31(23)17-9-10-17/h2-5,8,11-14,16-17H,6-7,9-10H2,1H3,(H,27,28,32)
InChIKeyHBAWHKLKYGOHCQ-UHFFFAOYSA-N
XLogP4.30
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methylbenzamide?
The IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methylbenzamide (CID 58102982) is 5-(4-cyclopropylimidazol-1-yl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methylbenzamide.
What is the SMILES notation for 5-(4-cyclopropylimidazol-1-yl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methylbenzamide?
The canonical SMILES for 5-(4-cyclopropylimidazol-1-yl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methylbenzamide is Cc1ccc(-n2cnc(C3CC3)c2)cc1C(=O)Nc1cccc(-c2nncn2C2CC2)n1.
What is the InChIKey of 5-(4-cyclopropylimidazol-1-yl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methylbenzamide?
The InChIKey is HBAWHKLKYGOHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O/c1-15-5-8-18(30-12-21(25-13-30)16-6-7-16)11-19(15)24(32)28-22-4-2-3-20(27-22)23-29-26-14-31(23)17-9-10-17/h2-5,8,11-14,16-17H,6-7,9-10H2,1H3,(H,27,28,32).
What are the key properties of 5-(4-cyclopropylimidazol-1-yl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methylbenzamide?
5-(4-cyclopropylimidazol-1-yl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methylbenzamide has a molecular weight of 425.50 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropylimidazol-1-yl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methylbenzamide is sourced from PubChem (CID 58102982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).