3-[[3,7-bis(4-hydroxybutyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one

C25H31N5O3 — CID 57410246

IUPAC3-[[3,7-bis(4-hydroxybutyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2nc3cc(CCCCO)ccn3c2CCCCO)c2cnccc2n1C1CC1
InChIInChI=1S/C25H31N5O3/c31-13-3-1-5-18-10-12-28-21(6-2-4-14-32)20(27-24(28)15-18)17-29-23-16-26-11-9-22(23)30(25(29)33)19-7-8-19/h9-12,15-16,19,31-32H,1-8,13-14,17H2
InChIKeyJUKLYDMGYBETBP-UHFFFAOYSA-N
MW449.56 g/mol
LogP2.86
Rot. Bonds11

About 3-[[3,7-bis(4-hydroxybutyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one

3-[[3,7-bis(4-hydroxybutyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one (PubChem CID 57410246) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is 3-[[3,7-bis(4-hydroxybutyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name3-[[3,7-bis(4-hydroxybutyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
PubChem CID57410246
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC Name3-[[3,7-bis(4-hydroxybutyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2nc3cc(CCCCO)ccn3c2CCCCO)c2cnccc2n1C1CC1
InChIInChI=1S/C25H31N5O3/c31-13-3-1-5-18-10-12-28-21(6-2-4-14-32)20(27-24(28)15-18)17-29-23-16-26-11-9-22(23)30(25(29)33)19-7-8-19/h9-12,15-16,19,31-32H,1-8,13-14,17H2
InChIKeyJUKLYDMGYBETBP-UHFFFAOYSA-N
XLogP2.86
TPSA97.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[[3,7-bis(4-hydroxybutyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The IUPAC name of 3-[[3,7-bis(4-hydroxybutyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one (CID 57410246) is 3-[[3,7-bis(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-[[3,7-bis(4-hydroxybutyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 3-[[3,7-bis(4-hydroxybutyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one is O=c1n(Cc2nc3cc(CCCCO)ccn3c2CCCCO)c2cnccc2n1C1CC1.
What is the InChIKey of 3-[[3,7-bis(4-hydroxybutyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The InChIKey is JUKLYDMGYBETBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3/c31-13-3-1-5-18-10-12-28-21(6-2-4-14-32)20(27-24(28)15-18)17-29-23-16-26-11-9-22(23)30(25(29)33)19-7-8-19/h9-12,15-16,19,31-32H,1-8,13-14,17H2.
What are the key properties of 3-[[3,7-bis(4-hydroxybutyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
3-[[3,7-bis(4-hydroxybutyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one has a molecular weight of 449.56 g/mol, XLogP of 2.86, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,7-bis(4-hydroxybutyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 57410246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).