4-N-[5-chloro-4-[6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine

C24H25ClN6O — CID 154601412

IUPAC4-N-[5-chloro-4-[6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine
SMILESCOc1ccc(-c2ccc3ncc(-c4nc(NC5CCC(N)CC5)ncc4Cl)n3c2)cc1
InChIInChI=1S/C24H25ClN6O/c1-32-19-9-2-15(3-10-19)16-4-11-22-27-13-21(31(22)14-16)23-20(25)12-28-24(30-23)29-18-7-5-17(26)6-8-18/h2-4,9-14,17-18H,5-8,26H2,1H3,(H,28,29,30)
InChIKeyAMWHYPQMIDTNMA-UHFFFAOYSA-N
MW448.96 g/mol
LogP4.80
Rot. Bonds5

About 4-N-[5-chloro-4-[6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine

4-N-[5-chloro-4-[6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine (PubChem CID 154601412) has the molecular formula C24H25ClN6O and a molecular weight of 448.96 g/mol. Its IUPAC name is 4-N-[5-chloro-4-[6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[5-chloro-4-[6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine
PubChem CID154601412
Molecular FormulaC24H25ClN6O
Molecular Weight448.96 g/mol
Exact Mass448.18
IUPAC Name4-N-[5-chloro-4-[6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine
SMILESCOc1ccc(-c2ccc3ncc(-c4nc(NC5CCC(N)CC5)ncc4Cl)n3c2)cc1
InChIInChI=1S/C24H25ClN6O/c1-32-19-9-2-15(3-10-19)16-4-11-22-27-13-21(31(22)14-16)23-20(25)12-28-24(30-23)29-18-7-5-17(26)6-8-18/h2-4,9-14,17-18H,5-8,26H2,1H3,(H,28,29,30)
InChIKeyAMWHYPQMIDTNMA-UHFFFAOYSA-N
XLogP4.80
TPSA90.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.96
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-[5-chloro-4-(6-pyrimidin-5-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 154601410
4-N-[5-methyl-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 135301300
4-N-(4-imidazo[1,2-a]pyridin-3-yl-5-methoxypyrimidin-2-yl)cyclohexane-1,4-diamine
CID 154601404
4-N-[5-fluoro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,4-diamine
CID 154995788
4-N-[5-fluoro-4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-methylcyclohexane-1,4-diamine
CID 142408387
4-N-[5-fluoro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-pyridin-2-ylcyclohexane-1,4-diamine
CID 142408363
4-N-[5-fluoro-4-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 154601425
4-N-[5-fluoro-4-[6-(3-fluoroanilino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 154601382
2-[4-[2-[(4-aminocyclohexyl)amino]-5-chloropyrimidin-4-yl]-1-methylpyrazol-5-yl]ethanol
CID 156817339
1-[3-[2-[(4-aminocyclohexyl)amino]-5-chloropyrimidin-4-yl]phenyl]pyridin-2-one
CID 172591905
N-[4-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxyphenyl]-5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine
CID 59291184
4-N-[5-chloro-4-[2-(3-methylbutylamino)-4-pyridinyl]pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 123154364

Frequently Asked Questions

What is the IUPAC name of 4-N-[5-chloro-4-[6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[5-chloro-4-[6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine (CID 154601412) is 4-N-[5-chloro-4-[6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[5-chloro-4-[6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[5-chloro-4-[6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine is COc1ccc(-c2ccc3ncc(-c4nc(NC5CCC(N)CC5)ncc4Cl)n3c2)cc1.
What is the InChIKey of 4-N-[5-chloro-4-[6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine?
The InChIKey is AMWHYPQMIDTNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O/c1-32-19-9-2-15(3-10-19)16-4-11-22-27-13-21(31(22)14-16)23-20(25)12-28-24(30-23)29-18-7-5-17(26)6-8-18/h2-4,9-14,17-18H,5-8,26H2,1H3,(H,28,29,30).
What are the key properties of 4-N-[5-chloro-4-[6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine?
4-N-[5-chloro-4-[6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine has a molecular weight of 448.96 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[5-chloro-4-[6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 154601412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).