6-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide

C24H23N7O3 — CID 165415041

IUPAC6-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide
SMILESCNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1c(C(=O)N2CCC2)cnn1C
InChIInChI=1S/C24H23N7O3/c1-25-22(32)15-11-18-19(28-21(27-18)14-7-4-3-5-8-14)12-17(15)29-23(33)20-16(13-26-30(20)2)24(34)31-9-6-10-31/h3-5,7-8,11-13H,6,9-10H2,1-2H3,(H,25,32)(H,27,28)(H,29,33)
InChIKeyFTMJIFCOROFUTP-UHFFFAOYSA-N
MW457.49 g/mol
LogP2.42
Rot. Bonds5

About 6-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide

6-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide (PubChem CID 165415041) has the molecular formula C24H23N7O3 and a molecular weight of 457.49 g/mol. Its IUPAC name is 6-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name6-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide
PubChem CID165415041
Molecular FormulaC24H23N7O3
Molecular Weight457.49 g/mol
Exact Mass457.19
IUPAC Name6-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide
SMILESCNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1c(C(=O)N2CCC2)cnn1C
InChIInChI=1S/C24H23N7O3/c1-25-22(32)15-11-18-19(28-21(27-18)14-7-4-3-5-8-14)12-17(15)29-23(33)20-16(13-26-30(20)2)24(34)31-9-6-10-31/h3-5,7-8,11-13H,6,9-10H2,1-2H3,(H,25,32)(H,27,28)(H,29,33)
InChIKeyFTMJIFCOROFUTP-UHFFFAOYSA-N
XLogP2.42
TPSA125.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 6-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide (CID 165415041) is 6-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 6-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 6-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide is CNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1c(C(=O)N2CCC2)cnn1C.
What is the InChIKey of 6-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide?
The InChIKey is FTMJIFCOROFUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O3/c1-25-22(32)15-11-18-19(28-21(27-18)14-7-4-3-5-8-14)12-17(15)29-23(33)20-16(13-26-30(20)2)24(34)31-9-6-10-31/h3-5,7-8,11-13H,6,9-10H2,1-2H3,(H,25,32)(H,27,28)(H,29,33).
What are the key properties of 6-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide?
6-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide has a molecular weight of 457.49 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 165415041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).