3-[[6-chloro-3-(4-hydroxybutyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one

C21H22ClN5O2 — CID 118737707

IUPAC3-[[6-chloro-3-(4-hydroxybutyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2nc3ccc(Cl)cn3c2CCCCO)c2cnccc2n1C1CC1
InChIInChI=1S/C21H22ClN5O2/c22-14-4-7-20-24-16(17(25(20)12-14)3-1-2-10-28)13-26-19-11-23-9-8-18(19)27(21(26)29)15-5-6-15/h4,7-9,11-12,15,28H,1-3,5-6,10,13H2
InChIKeyBZMOAQYSHLACRG-UHFFFAOYSA-N
MW411.89 g/mol
LogP3.20
Rot. Bonds7

About 3-[[6-chloro-3-(4-hydroxybutyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one

3-[[6-chloro-3-(4-hydroxybutyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one (PubChem CID 118737707) has the molecular formula C21H22ClN5O2 and a molecular weight of 411.89 g/mol. Its IUPAC name is 3-[[6-chloro-3-(4-hydroxybutyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name3-[[6-chloro-3-(4-hydroxybutyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
PubChem CID118737707
Molecular FormulaC21H22ClN5O2
Molecular Weight411.89 g/mol
Exact Mass411.15
IUPAC Name3-[[6-chloro-3-(4-hydroxybutyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2nc3ccc(Cl)cn3c2CCCCO)c2cnccc2n1C1CC1
InChIInChI=1S/C21H22ClN5O2/c22-14-4-7-20-24-16(17(25(20)12-14)3-1-2-10-28)13-26-19-11-23-9-8-18(19)27(21(26)29)15-5-6-15/h4,7-9,11-12,15,28H,1-3,5-6,10,13H2
InChIKeyBZMOAQYSHLACRG-UHFFFAOYSA-N
XLogP3.20
TPSA77.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-chloro-3-(4-hydroxybutyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The IUPAC name of 3-[[6-chloro-3-(4-hydroxybutyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one (CID 118737707) is 3-[[6-chloro-3-(4-hydroxybutyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 3-[[6-chloro-3-(4-hydroxybutyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 3-[[6-chloro-3-(4-hydroxybutyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one is O=c1n(Cc2nc3ccc(Cl)cn3c2CCCCO)c2cnccc2n1C1CC1.
What is the InChIKey of 3-[[6-chloro-3-(4-hydroxybutyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The InChIKey is BZMOAQYSHLACRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O2/c22-14-4-7-20-24-16(17(25(20)12-14)3-1-2-10-28)13-26-19-11-23-9-8-18(19)27(21(26)29)15-5-6-15/h4,7-9,11-12,15,28H,1-3,5-6,10,13H2.
What are the key properties of 3-[[6-chloro-3-(4-hydroxybutyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
3-[[6-chloro-3-(4-hydroxybutyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one has a molecular weight of 411.89 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-chloro-3-(4-hydroxybutyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 118737707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).