3-[[3-(butylamino)-7-chloroimidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one

C21H23ClN6O — CID 118737726

IUPAC3-[[3-(butylamino)-7-chloroimidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
SMILESCCCCNc1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Cl)ccn12
InChIInChI=1S/C21H23ClN6O/c1-2-3-8-24-20-16(25-19-11-14(22)7-10-26(19)20)13-27-18-12-23-9-6-17(18)28(21(27)29)15-4-5-15/h6-7,9-12,15,24H,2-5,8,13H2,1H3
InChIKeyPXLGFMFFLQSIHL-UHFFFAOYSA-N
MW410.91 g/mol
LogP4.09
Rot. Bonds7

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

3-[[3-(butylamino)-7-chloroimidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one (PubChem CID 118737726) has the molecular formula C21H23ClN6O and a molecular weight of 410.91 g/mol. Its IUPAC name is 3-[[3-(butylamino)-7-chloroimidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name3-[[3-(butylamino)-7-chloroimidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
PubChem CID118737726
Molecular FormulaC21H23ClN6O
Molecular Weight410.91 g/mol
Exact Mass410.16
IUPAC Name3-[[3-(butylamino)-7-chloroimidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
SMILESCCCCNc1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Cl)ccn12
InChIInChI=1S/C21H23ClN6O/c1-2-3-8-24-20-16(25-19-11-14(22)7-10-26(19)20)13-27-18-12-23-9-6-17(18)28(21(27)29)15-4-5-15/h6-7,9-12,15,24H,2-5,8,13H2,1H3
InChIKeyPXLGFMFFLQSIHL-UHFFFAOYSA-N
XLogP4.09
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 54.09
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-[[3-(butylamino)-7-chloroimidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The IUPAC name of 3-[[3-(butylamino)-7-chloroimidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one (CID 118737726) is 3-[[3-(butylamino)-7-chloroimidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 3-[[3-(butylamino)-7-chloroimidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 3-[[3-(butylamino)-7-chloroimidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one is CCCCNc1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Cl)ccn12.
What is the InChIKey of 3-[[3-(butylamino)-7-chloroimidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The InChIKey is PXLGFMFFLQSIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6O/c1-2-3-8-24-20-16(25-19-11-14(22)7-10-26(19)20)13-27-18-12-23-9-6-17(18)28(21(27)29)15-4-5-15/h6-7,9-12,15,24H,2-5,8,13H2,1H3.
What are the key properties of 3-[[3-(butylamino)-7-chloroimidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
3-[[3-(butylamino)-7-chloroimidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one has a molecular weight of 410.91 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(butylamino)-7-chloroimidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 118737726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).