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

C25H25N7O4 — CID 165415050

IUPACN-methyl-6-[[1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]-2-phenyl-3H-benzimidazole-5-carboxamide
SMILESCNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1c(C(=O)N2CCOCC2)cnn1C
InChIInChI=1S/C25H25N7O4/c1-26-23(33)16-12-19-20(29-22(28-19)15-6-4-3-5-7-15)13-18(16)30-24(34)21-17(14-27-31(21)2)25(35)32-8-10-36-11-9-32/h3-7,12-14H,8-11H2,1-2H3,(H,26,33)(H,28,29)(H,30,34)
InChIKeyWZKUENPVUSIWLE-UHFFFAOYSA-N
MW487.52 g/mol
LogP2.05
Rot. Bonds5

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

N-methyl-6-[[1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]-2-phenyl-3H-benzimidazole-5-carboxamide (PubChem CID 165415050) has the molecular formula C25H25N7O4 and a molecular weight of 487.52 g/mol. Its IUPAC name is N-methyl-6-[[1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]-2-phenyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[[1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]-2-phenyl-3H-benzimidazole-5-carboxamide
PubChem CID165415050
Molecular FormulaC25H25N7O4
Molecular Weight487.52 g/mol
Exact Mass487.20
IUPAC NameN-methyl-6-[[1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]-2-phenyl-3H-benzimidazole-5-carboxamide
SMILESCNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1c(C(=O)N2CCOCC2)cnn1C
InChIInChI=1S/C25H25N7O4/c1-26-23(33)16-12-19-20(29-22(28-19)15-6-4-3-5-7-15)13-18(16)30-24(34)21-17(14-27-31(21)2)25(35)32-8-10-36-11-9-32/h3-7,12-14H,8-11H2,1-2H3,(H,26,33)(H,28,29)(H,30,34)
InChIKeyWZKUENPVUSIWLE-UHFFFAOYSA-N
XLogP2.05
TPSA134.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.52
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[[1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]-2-phenyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-methyl-6-[[1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]-2-phenyl-3H-benzimidazole-5-carboxamide (CID 165415050) is N-methyl-6-[[1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]-2-phenyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-methyl-6-[[1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]-2-phenyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-methyl-6-[[1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]-2-phenyl-3H-benzimidazole-5-carboxamide is CNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1c(C(=O)N2CCOCC2)cnn1C.
What is the InChIKey of N-methyl-6-[[1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]-2-phenyl-3H-benzimidazole-5-carboxamide?
The InChIKey is WZKUENPVUSIWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O4/c1-26-23(33)16-12-19-20(29-22(28-19)15-6-4-3-5-7-15)13-18(16)30-24(34)21-17(14-27-31(21)2)25(35)32-8-10-36-11-9-32/h3-7,12-14H,8-11H2,1-2H3,(H,26,33)(H,28,29)(H,30,34).
What are the key properties of N-methyl-6-[[1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]-2-phenyl-3H-benzimidazole-5-carboxamide?
N-methyl-6-[[1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]-2-phenyl-3H-benzimidazole-5-carboxamide has a molecular weight of 487.52 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[[1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]-2-phenyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 165415050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).