N-(1-ethylbenzimidazol-5-yl)-3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxamide

C25H28N6O2 — CID 110085710

IUPACN-(1-ethylbenzimidazol-5-yl)-3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxamide
SMILESCCn1cnc2cc(NC(=O)C3(C)CCCN(C(=O)c4n[nH]c5ccc(C)cc45)C3)ccc21
InChIInChI=1S/C25H28N6O2/c1-4-30-15-26-20-13-17(7-9-21(20)30)27-24(33)25(3)10-5-11-31(14-25)23(32)22-18-12-16(2)6-8-19(18)28-29-22/h6-9,12-13,15H,4-5,10-11,14H2,1-3H3,(H,27,33)(H,28,29)
InChIKeyOKYXWHRTZLLMSA-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.12
Rot. Bonds4

About N-(1-ethylbenzimidazol-5-yl)-3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxamide

N-(1-ethylbenzimidazol-5-yl)-3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxamide (PubChem CID 110085710) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-(1-ethylbenzimidazol-5-yl)-3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-ethylbenzimidazol-5-yl)-3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxamide
PubChem CID110085710
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC NameN-(1-ethylbenzimidazol-5-yl)-3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxamide
SMILESCCn1cnc2cc(NC(=O)C3(C)CCCN(C(=O)c4n[nH]c5ccc(C)cc45)C3)ccc21
InChIInChI=1S/C25H28N6O2/c1-4-30-15-26-20-13-17(7-9-21(20)30)27-24(33)25(3)10-5-11-31(14-25)23(32)22-18-12-16(2)6-8-19(18)28-29-22/h6-9,12-13,15H,4-5,10-11,14H2,1-3H3,(H,27,33)(H,28,29)
InChIKeyOKYXWHRTZLLMSA-UHFFFAOYSA-N
XLogP4.12
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylbenzimidazol-5-yl)-3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(1-ethylbenzimidazol-5-yl)-3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxamide (CID 110085710) is N-(1-ethylbenzimidazol-5-yl)-3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(1-ethylbenzimidazol-5-yl)-3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(1-ethylbenzimidazol-5-yl)-3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxamide is CCn1cnc2cc(NC(=O)C3(C)CCCN(C(=O)c4n[nH]c5ccc(C)cc45)C3)ccc21.
What is the InChIKey of N-(1-ethylbenzimidazol-5-yl)-3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is OKYXWHRTZLLMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-4-30-15-26-20-13-17(7-9-21(20)30)27-24(33)25(3)10-5-11-31(14-25)23(32)22-18-12-16(2)6-8-19(18)28-29-22/h6-9,12-13,15H,4-5,10-11,14H2,1-3H3,(H,27,33)(H,28,29).
What are the key properties of N-(1-ethylbenzimidazol-5-yl)-3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxamide?
N-(1-ethylbenzimidazol-5-yl)-3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylbenzimidazol-5-yl)-3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 110085710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).