2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-[2-[[4-[5-(3-methylpyrrolidin-1-yl)-3-pyridinyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]ethanamine

C27H31FN8 — CID 177306190

IUPAC2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-[2-[[4-[5-(3-methylpyrrolidin-1-yl)-3-pyridinyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]ethanamine
SMILESCC1CCN(c2cncc(-c3cn(Cc4cn5cc(C(N)CC67CC(F)(C6)C7)ccc5n4)nn3)c2)C1
InChIInChI=1S/C27H31FN8/c1-18-4-5-34(10-18)22-6-20(8-30-9-22)24-14-36(33-32-24)13-21-12-35-11-19(2-3-25(35)31-21)23(29)7-26-15-27(28,16-26)17-26/h2-3,6,8-9,11-12,14,18,23H,4-5,7,10,13,15-17,29H2,1H3
InChIKeyVUZNZROTNTZCDB-UHFFFAOYSA-N
MW486.60 g/mol
LogP4.16
Rot. Bonds7

About 2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-[2-[[4-[5-(3-methylpyrrolidin-1-yl)-3-pyridinyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]ethanamine

2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-[2-[[4-[5-(3-methylpyrrolidin-1-yl)-3-pyridinyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]ethanamine (PubChem CID 177306190) has the molecular formula C27H31FN8 and a molecular weight of 486.60 g/mol. Its IUPAC name is 2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-[2-[[4-[5-(3-methylpyrrolidin-1-yl)-3-pyridinyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]ethanamine.

Molecular Properties

Compound Name2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-[2-[[4-[5-(3-methylpyrrolidin-1-yl)-3-pyridinyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]ethanamine
PubChem CID177306190
Molecular FormulaC27H31FN8
Molecular Weight486.60 g/mol
Exact Mass486.27
IUPAC Name2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-[2-[[4-[5-(3-methylpyrrolidin-1-yl)-3-pyridinyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]ethanamine
SMILESCC1CCN(c2cncc(-c3cn(Cc4cn5cc(C(N)CC67CC(F)(C6)C7)ccc5n4)nn3)c2)C1
InChIInChI=1S/C27H31FN8/c1-18-4-5-34(10-18)22-6-20(8-30-9-22)24-14-36(33-32-24)13-21-12-35-11-19(2-3-25(35)31-21)23(29)7-26-15-27(28,16-26)17-26/h2-3,6,8-9,11-12,14,18,23H,4-5,7,10,13,15-17,29H2,1H3
InChIKeyVUZNZROTNTZCDB-UHFFFAOYSA-N
XLogP4.16
TPSA90.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.60
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-[2-[[4-[5-(3-methylpyrrolidin-1-yl)-3-pyridinyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]ethanamine with MolForge

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Related Compounds

2-(4-fluoro-1-bicyclo[2.2.2]octanyl)-1-[2-[[4-(5-pyrrolidin-1-yl-3-pyridinyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]ethanamine
CID 177306185
N-[(4-fluoro-1-bicyclo[2.2.2]octanyl)methyl]-1-[2-[[4-(5-pyrrolidin-1-yl-3-pyridinyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanamine
CID 176815806
1-cyclobutyl-N-[[2-[[4-[5-(2,5-dihydropyrrol-1-yl)-3-pyridinyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine
CID 171084244
tert-butyl N-(cyclobutylmethyl)-N-[[2-[[4-[5-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate
CID 176815710
CID 174070100
CID 174070100
2-[[4-[5-(dimethylamino)-3-pyridinyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 171084299
3-(aziridin-1-yl)-5-(1-ethyltriazol-4-yl)pyridine
CID 176815593
[2-[[4-(4-chloro-5-pyrrolidin-1-yl-3-pyridinyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol
CID 171084400
tert-butyl N-[[2-[[4-(5-bromo-3-pyridinyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate
CID 176815794
3-(1-ethyltriazol-4-yl)-5-piperidin-1-ylpyridine
CID 176815874
4-[4-[1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-1H-indazol-6-yl]morpholine
CID 175276114
6-[[4-[5-(2,5-dihydropyrrol-1-yl)-3-pyridinyl]triazol-1-yl]methyl]-2-[(4,4-dimethylpiperidin-1-yl)methyl]-1H-indole
CID 171084531

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-[2-[[4-[5-(3-methylpyrrolidin-1-yl)-3-pyridinyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]ethanamine?
The IUPAC name of 2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-[2-[[4-[5-(3-methylpyrrolidin-1-yl)-3-pyridinyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]ethanamine (CID 177306190) is 2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-[2-[[4-[5-(3-methylpyrrolidin-1-yl)-3-pyridinyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]ethanamine.
What is the SMILES notation for 2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-[2-[[4-[5-(3-methylpyrrolidin-1-yl)-3-pyridinyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]ethanamine?
The canonical SMILES for 2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-[2-[[4-[5-(3-methylpyrrolidin-1-yl)-3-pyridinyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]ethanamine is CC1CCN(c2cncc(-c3cn(Cc4cn5cc(C(N)CC67CC(F)(C6)C7)ccc5n4)nn3)c2)C1.
What is the InChIKey of 2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-[2-[[4-[5-(3-methylpyrrolidin-1-yl)-3-pyridinyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]ethanamine?
The InChIKey is VUZNZROTNTZCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN8/c1-18-4-5-34(10-18)22-6-20(8-30-9-22)24-14-36(33-32-24)13-21-12-35-11-19(2-3-25(35)31-21)23(29)7-26-15-27(28,16-26)17-26/h2-3,6,8-9,11-12,14,18,23H,4-5,7,10,13,15-17,29H2,1H3.
What are the key properties of 2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-[2-[[4-[5-(3-methylpyrrolidin-1-yl)-3-pyridinyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]ethanamine?
2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-[2-[[4-[5-(3-methylpyrrolidin-1-yl)-3-pyridinyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]ethanamine has a molecular weight of 486.60 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-[2-[[4-[5-(3-methylpyrrolidin-1-yl)-3-pyridinyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]ethanamine is sourced from PubChem (CID 177306190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).