[2-[[4-(4-chloro-5-pyrrolidin-1-yl-3-pyridinyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol

C20H20ClN7O — CID 171084400

IUPAC[2-[[4-(4-chloro-5-pyrrolidin-1-yl-3-pyridinyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol
SMILESOCc1ccc2nc(Cn3cc(-c4cncc(N5CCCC5)c4Cl)nn3)cn2c1
InChIInChI=1S/C20H20ClN7O/c21-20-16(7-22-8-18(20)26-5-1-2-6-26)17-12-28(25-24-17)11-15-10-27-9-14(13-29)3-4-19(27)23-15/h3-4,7-10,12,29H,1-2,5-6,11,13H2
InChIKeyNIHJBYUHCCYNQX-UHFFFAOYSA-N
MW409.88 g/mol
LogP2.78
Rot. Bonds5

About [2-[[4-(4-chloro-5-pyrrolidin-1-yl-3-pyridinyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol

[2-[[4-(4-chloro-5-pyrrolidin-1-yl-3-pyridinyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol (PubChem CID 171084400) has the molecular formula C20H20ClN7O and a molecular weight of 409.88 g/mol. Its IUPAC name is [2-[[4-(4-chloro-5-pyrrolidin-1-yl-3-pyridinyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol.

Molecular Properties

Compound Name[2-[[4-(4-chloro-5-pyrrolidin-1-yl-3-pyridinyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol
PubChem CID171084400
Molecular FormulaC20H20ClN7O
Molecular Weight409.88 g/mol
Exact Mass409.14
IUPAC Name[2-[[4-(4-chloro-5-pyrrolidin-1-yl-3-pyridinyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol
SMILESOCc1ccc2nc(Cn3cc(-c4cncc(N5CCCC5)c4Cl)nn3)cn2c1
InChIInChI=1S/C20H20ClN7O/c21-20-16(7-22-8-18(20)26-5-1-2-6-26)17-12-28(25-24-17)11-15-10-27-9-14(13-29)3-4-19(27)23-15/h3-4,7-10,12,29H,1-2,5-6,11,13H2
InChIKeyNIHJBYUHCCYNQX-UHFFFAOYSA-N
XLogP2.78
TPSA84.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.88
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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-(3H-pyrrolo[2,3-c]pyridin-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine
CID 177373572
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
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
1-cyclobutyl-N-[[2-[[4-(6-fluoro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine;[2-[[4-(6-fluoro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol
CID 155167611
CID 174070100
CID 174070100
1-[[[2-[[4-(1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methylamino]methyl]cyclohexan-1-ol
CID 155167449
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
4-[4-[1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-1H-indazol-6-yl]morpholine
CID 175276114
2-[[4-[5-(dimethylamino)-3-pyridinyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 171084299
[5-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazol-4-yl]-2-pyridinyl]methanol
CID 166401701
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

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(4-chloro-5-pyrrolidin-1-yl-3-pyridinyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol?
The IUPAC name of [2-[[4-(4-chloro-5-pyrrolidin-1-yl-3-pyridinyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol (CID 171084400) is [2-[[4-(4-chloro-5-pyrrolidin-1-yl-3-pyridinyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol.
What is the SMILES notation for [2-[[4-(4-chloro-5-pyrrolidin-1-yl-3-pyridinyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol?
The canonical SMILES for [2-[[4-(4-chloro-5-pyrrolidin-1-yl-3-pyridinyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol is OCc1ccc2nc(Cn3cc(-c4cncc(N5CCCC5)c4Cl)nn3)cn2c1.
What is the InChIKey of [2-[[4-(4-chloro-5-pyrrolidin-1-yl-3-pyridinyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol?
The InChIKey is NIHJBYUHCCYNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN7O/c21-20-16(7-22-8-18(20)26-5-1-2-6-26)17-12-28(25-24-17)11-15-10-27-9-14(13-29)3-4-19(27)23-15/h3-4,7-10,12,29H,1-2,5-6,11,13H2.
What are the key properties of [2-[[4-(4-chloro-5-pyrrolidin-1-yl-3-pyridinyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol?
[2-[[4-(4-chloro-5-pyrrolidin-1-yl-3-pyridinyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol has a molecular weight of 409.88 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(4-chloro-5-pyrrolidin-1-yl-3-pyridinyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol is sourced from PubChem (CID 171084400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).