N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-1-[2-[[4-(6-methoxyimidazo[1,5-a]pyridin-8-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanamine

C25H25FN8O — CID 163239134

IUPACN-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-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(F)(C5)C6)ccc4n3)nn2)c2cncn2c1
InChIInChI=1S/C25H25FN8O/c1-35-19-4-20(22-6-28-16-33(22)10-19)21-11-34(31-30-21)9-18-8-32-7-17(2-3-23(32)29-18)5-27-15-24-12-25(26,13-24)14-24/h2-4,6-8,10-11,16,27H,5,9,12-15H2,1H3
InChIKeyKTHCGQRAINDGSY-UHFFFAOYSA-N
MW472.53 g/mol
LogP3.28
Rot. Bonds8

About N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-1-[2-[[4-(6-methoxyimidazo[1,5-a]pyridin-8-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanamine

N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-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 163239134) has the molecular formula C25H25FN8O and a molecular weight of 472.53 g/mol. Its IUPAC name is N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-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-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-1-[2-[[4-(6-methoxyimidazo[1,5-a]pyridin-8-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanamine
PubChem CID163239134
Molecular FormulaC25H25FN8O
Molecular Weight472.53 g/mol
Exact Mass472.21
IUPAC NameN-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-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(F)(C5)C6)ccc4n3)nn2)c2cncn2c1
InChIInChI=1S/C25H25FN8O/c1-35-19-4-20(22-6-28-16-33(22)10-19)21-11-34(31-30-21)9-18-8-32-7-17(2-3-23(32)29-18)5-27-15-24-12-25(26,13-24)14-24/h2-4,6-8,10-11,16,27H,5,9,12-15H2,1H3
InChIKeyKTHCGQRAINDGSY-UHFFFAOYSA-N
XLogP3.28
TPSA86.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.53
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-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-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-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-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-1-[2-[[4-(6-methoxyimidazo[1,5-a]pyridin-8-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanamine (CID 163239134) is N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-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-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-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-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-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(F)(C5)C6)ccc4n3)nn2)c2cncn2c1.
What is the InChIKey of N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-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 KTHCGQRAINDGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN8O/c1-35-19-4-20(22-6-28-16-33(22)10-19)21-11-34(31-30-21)9-18-8-32-7-17(2-3-23(32)29-18)5-27-15-24-12-25(26,13-24)14-24/h2-4,6-8,10-11,16,27H,5,9,12-15H2,1H3.
What are the key properties of N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-1-[2-[[4-(6-methoxyimidazo[1,5-a]pyridin-8-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanamine?
N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-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 472.53 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-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 163239134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).