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

C23H25ClN6O — CID 118737727

IUPAC3-[[7-chloro-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2nc3cc(Cl)ccn3c2NC2CCCCC2)c2cnccc2n1C1CC1
InChIInChI=1S/C23H25ClN6O/c24-15-9-11-28-21(12-15)27-18(22(28)26-16-4-2-1-3-5-16)14-29-20-13-25-10-8-19(20)30(23(29)31)17-6-7-17/h8-13,16-17,26H,1-7,14H2
InChIKeyBTELCQPHXBBYOK-UHFFFAOYSA-N
MW436.95 g/mol
LogP4.63
Rot. Bonds5

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

3-[[7-chloro-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one (PubChem CID 118737727) has the molecular formula C23H25ClN6O and a molecular weight of 436.95 g/mol. Its IUPAC name is 3-[[7-chloro-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name3-[[7-chloro-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
PubChem CID118737727
Molecular FormulaC23H25ClN6O
Molecular Weight436.95 g/mol
Exact Mass436.18
IUPAC Name3-[[7-chloro-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2nc3cc(Cl)ccn3c2NC2CCCCC2)c2cnccc2n1C1CC1
InChIInChI=1S/C23H25ClN6O/c24-15-9-11-28-21(12-15)27-18(22(28)26-16-4-2-1-3-5-16)14-29-20-13-25-10-8-19(20)30(23(29)31)17-6-7-17/h8-13,16-17,26H,1-7,14H2
InChIKeyBTELCQPHXBBYOK-UHFFFAOYSA-N
XLogP4.63
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.95
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[7-chloro-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The IUPAC name of 3-[[7-chloro-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one (CID 118737727) is 3-[[7-chloro-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 3-[[7-chloro-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 3-[[7-chloro-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one is O=c1n(Cc2nc3cc(Cl)ccn3c2NC2CCCCC2)c2cnccc2n1C1CC1.
What is the InChIKey of 3-[[7-chloro-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The InChIKey is BTELCQPHXBBYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6O/c24-15-9-11-28-21(12-15)27-18(22(28)26-16-4-2-1-3-5-16)14-29-20-13-25-10-8-19(20)30(23(29)31)17-6-7-17/h8-13,16-17,26H,1-7,14H2.
What are the key properties of 3-[[7-chloro-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
3-[[7-chloro-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one has a molecular weight of 436.95 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-chloro-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 118737727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).