N-(1-bicyclo[1.1.1]pentanylmethyl)-1-[2-[[4-(6-methoxyimidazo[1,5-a]pyridin-8-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanamine

C25H26N8O — CID 163239107

IUPACN-(1-bicyclo[1.1.1]pentanylmethyl)-1-[2-[[4-(6-methoxyimidazo[1,5-a]pyridin-8-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCOc1cc(-c2cn(Cc3cn4cc(CNCC56CC(C5)C6)ccc4n3)nn2)c2cncn2c1
InChIInChI=1S/C25H26N8O/c1-34-20-4-21(23-9-27-16-32(23)13-20)22-14-33(30-29-22)12-19-11-31-10-17(2-3-24(31)28-19)8-26-15-25-5-18(6-25)7-25/h2-4,9-11,13-14,16,18,26H,5-8,12,15H2,1H3
InChIKeyXYHNMVCKQISMBP-UHFFFAOYSA-N
MW454.54 g/mol
LogP3.19
Rot. Bonds8

About N-(1-bicyclo[1.1.1]pentanylmethyl)-1-[2-[[4-(6-methoxyimidazo[1,5-a]pyridin-8-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanamine

N-(1-bicyclo[1.1.1]pentanylmethyl)-1-[2-[[4-(6-methoxyimidazo[1,5-a]pyridin-8-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanamine (PubChem CID 163239107) has the molecular formula C25H26N8O and a molecular weight of 454.54 g/mol. Its IUPAC name is N-(1-bicyclo[1.1.1]pentanylmethyl)-1-[2-[[4-(6-methoxyimidazo[1,5-a]pyridin-8-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound NameN-(1-bicyclo[1.1.1]pentanylmethyl)-1-[2-[[4-(6-methoxyimidazo[1,5-a]pyridin-8-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanamine
PubChem CID163239107
Molecular FormulaC25H26N8O
Molecular Weight454.54 g/mol
Exact Mass454.22
IUPAC NameN-(1-bicyclo[1.1.1]pentanylmethyl)-1-[2-[[4-(6-methoxyimidazo[1,5-a]pyridin-8-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCOc1cc(-c2cn(Cc3cn4cc(CNCC56CC(C5)C6)ccc4n3)nn2)c2cncn2c1
InChIInChI=1S/C25H26N8O/c1-34-20-4-21(23-9-27-16-32(23)13-20)22-14-33(30-29-22)12-19-11-31-10-17(2-3-24(31)28-19)8-26-15-25-5-18(6-25)7-25/h2-4,9-11,13-14,16,18,26H,5-8,12,15H2,1H3
InChIKeyXYHNMVCKQISMBP-UHFFFAOYSA-N
XLogP3.19
TPSA86.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.54
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(1-bicyclo[1.1.1]pentanylmethyl)-1-[2-[[4-(6-methoxyimidazo[1,5-a]pyridin-8-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1-bicyclo[1.1.1]pentanylmethyl)-1-[2-[[4-(6-methoxyimidazo[1,5-a]pyridin-8-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanamine?
The IUPAC name of N-(1-bicyclo[1.1.1]pentanylmethyl)-1-[2-[[4-(6-methoxyimidazo[1,5-a]pyridin-8-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanamine (CID 163239107) is N-(1-bicyclo[1.1.1]pentanylmethyl)-1-[2-[[4-(6-methoxyimidazo[1,5-a]pyridin-8-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanamine.
What is the SMILES notation for N-(1-bicyclo[1.1.1]pentanylmethyl)-1-[2-[[4-(6-methoxyimidazo[1,5-a]pyridin-8-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanamine?
The canonical SMILES for N-(1-bicyclo[1.1.1]pentanylmethyl)-1-[2-[[4-(6-methoxyimidazo[1,5-a]pyridin-8-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanamine is COc1cc(-c2cn(Cc3cn4cc(CNCC56CC(C5)C6)ccc4n3)nn2)c2cncn2c1.
What is the InChIKey of N-(1-bicyclo[1.1.1]pentanylmethyl)-1-[2-[[4-(6-methoxyimidazo[1,5-a]pyridin-8-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanamine?
The InChIKey is XYHNMVCKQISMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O/c1-34-20-4-21(23-9-27-16-32(23)13-20)22-14-33(30-29-22)12-19-11-31-10-17(2-3-24(31)28-19)8-26-15-25-5-18(6-25)7-25/h2-4,9-11,13-14,16,18,26H,5-8,12,15H2,1H3.
What are the key properties of N-(1-bicyclo[1.1.1]pentanylmethyl)-1-[2-[[4-(6-methoxyimidazo[1,5-a]pyridin-8-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanamine?
N-(1-bicyclo[1.1.1]pentanylmethyl)-1-[2-[[4-(6-methoxyimidazo[1,5-a]pyridin-8-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanamine has a molecular weight of 454.54 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bicyclo[1.1.1]pentanylmethyl)-1-[2-[[4-(6-methoxyimidazo[1,5-a]pyridin-8-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 163239107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).