N-[[6-(6-methyl-1H-benzimidazole-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

C25H25N5O3 — CID 90013037

IUPACN-[[6-(6-methyl-1H-benzimidazole-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCc1ccc2nc(C(=O)N3CCC4(CC3)CC4CNC(=O)c3cc4ccncc4o3)[nH]c2c1
InChIInChI=1S/C25H25N5O3/c1-15-2-3-18-19(10-15)29-22(28-18)24(32)30-8-5-25(6-9-30)12-17(25)13-27-23(31)20-11-16-4-7-26-14-21(16)33-20/h2-4,7,10-11,14,17H,5-6,8-9,12-13H2,1H3,(H,27,31)(H,28,29)
InChIKeyLVVHNZCVBGQHGQ-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.68
Rot. Bonds4

About N-[[6-(6-methyl-1H-benzimidazole-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[6-(6-methyl-1H-benzimidazole-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 90013037) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is N-[[6-(6-methyl-1H-benzimidazole-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(6-methyl-1H-benzimidazole-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID90013037
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC NameN-[[6-(6-methyl-1H-benzimidazole-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCc1ccc2nc(C(=O)N3CCC4(CC3)CC4CNC(=O)c3cc4ccncc4o3)[nH]c2c1
InChIInChI=1S/C25H25N5O3/c1-15-2-3-18-19(10-15)29-22(28-18)24(32)30-8-5-25(6-9-30)12-17(25)13-27-23(31)20-11-16-4-7-26-14-21(16)33-20/h2-4,7,10-11,14,17H,5-6,8-9,12-13H2,1H3,(H,27,31)(H,28,29)
InChIKeyLVVHNZCVBGQHGQ-UHFFFAOYSA-N
XLogP3.68
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[6-(6-methyl-1H-benzimidazole-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[6-(6-methyl-1H-benzimidazole-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-(6-methyl-1H-benzimidazole-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 90013037) is N-[[6-(6-methyl-1H-benzimidazole-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-(6-methyl-1H-benzimidazole-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-(6-methyl-1H-benzimidazole-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is Cc1ccc2nc(C(=O)N3CCC4(CC3)CC4CNC(=O)c3cc4ccncc4o3)[nH]c2c1.
What is the InChIKey of N-[[6-(6-methyl-1H-benzimidazole-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is LVVHNZCVBGQHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-15-2-3-18-19(10-15)29-22(28-18)24(32)30-8-5-25(6-9-30)12-17(25)13-27-23(31)20-11-16-4-7-26-14-21(16)33-20/h2-4,7,10-11,14,17H,5-6,8-9,12-13H2,1H3,(H,27,31)(H,28,29).
What are the key properties of N-[[6-(6-methyl-1H-benzimidazole-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-(6-methyl-1H-benzimidazole-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(6-methyl-1H-benzimidazole-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 90013037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).