2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxy-1-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxamide

C23H31N7O4 — CID 131987437

IUPAC2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxy-1-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCN1CCOCC1
InChIInChI=1S/C23H31N7O4/c1-4-30-18(12-15(2)27-30)22(32)26-23-25-17-13-16(21(24)31)14-19(33-3)20(17)29(23)7-5-6-28-8-10-34-11-9-28/h12-14H,4-11H2,1-3H3,(H2,24,31)(H,25,26,32)
InChIKeyUVIMSGXYOORCPX-UHFFFAOYSA-N
MW469.55 g/mol
LogP1.64
Rot. Bonds9

About 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxy-1-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxamide

2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxy-1-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxamide (PubChem CID 131987437) has the molecular formula C23H31N7O4 and a molecular weight of 469.55 g/mol. Its IUPAC name is 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxy-1-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxy-1-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxamide
PubChem CID131987437
Molecular FormulaC23H31N7O4
Molecular Weight469.55 g/mol
Exact Mass469.24
IUPAC Name2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxy-1-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCN1CCOCC1
InChIInChI=1S/C23H31N7O4/c1-4-30-18(12-15(2)27-30)22(32)26-23-25-17-13-16(21(24)31)14-19(33-3)20(17)29(23)7-5-6-28-8-10-34-11-9-28/h12-14H,4-11H2,1-3H3,(H2,24,31)(H,25,26,32)
InChIKeyUVIMSGXYOORCPX-UHFFFAOYSA-N
XLogP1.64
TPSA129.53 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxy-1-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxamide with MolForge

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Related Compounds

Diabzi sting agonist-1
CID 131986624
benzyl N-[3-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]propyl]carbamate
CID 131997755
STING agonist-31
CID 155817513
STING agonist-17
CID 164887458
STING agonist-13
CID 164887459
STING agonist-9
CID 164517085
[(3R)-3-aminopiperidin-1-yl]-[2-(1-ethylindol-2-yl)-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 122702852
[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 122702951
1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-(3-morpholin-4-ylpropoxy)benzimidazole-5-carboxamide
CID 131986582
1-butyl-2-(1-ethyl-3-methyl-1H-pyrazole-5-carboxamido)-7-methoxy-1H-benzo[d]imidazole-5-carboxamide
CID 131987548
2-[(2-Ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxy-1-propylbenzimidazole-5-carboxamide
CID 131987561
tert-butyl N-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]butyl]carbamate
CID 131997742

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxy-1-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxamide?
The IUPAC name of 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxy-1-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxamide (CID 131987437) is 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxy-1-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxy-1-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxamide?
The canonical SMILES for 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxy-1-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxamide is CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCN1CCOCC1.
What is the InChIKey of 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxy-1-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxamide?
The InChIKey is UVIMSGXYOORCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O4/c1-4-30-18(12-15(2)27-30)22(32)26-23-25-17-13-16(21(24)31)14-19(33-3)20(17)29(23)7-5-6-28-8-10-34-11-9-28/h12-14H,4-11H2,1-3H3,(H2,24,31)(H,25,26,32).
What are the key properties of 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxy-1-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxamide?
2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxy-1-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxamide has a molecular weight of 469.55 g/mol, XLogP of 1.64, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxy-1-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 131987437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).