1-[5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]piperidin-3-amine

C28H33ClN8O2 — CID 135281269

IUPAC1-[5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]piperidin-3-amine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(c5cnc(N6CCCC(N)C6)nc5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C28H33ClN8O2/c1-38-25-14-26(39-2)23(29)13-22(25)24-18-36-7-5-20(12-27(36)33-24)34-8-10-35(11-9-34)21-15-31-28(32-16-21)37-6-3-4-19(30)17-37/h5,7,12-16,18-19H,3-4,6,8-11,17,30H2,1-2H3
InChIKeyRIBOMTYTGWVZQE-UHFFFAOYSA-N
MW549.08 g/mol
LogP3.72
Rot. Bonds6

About 1-[5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]piperidin-3-amine

1-[5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]piperidin-3-amine (PubChem CID 135281269) has the molecular formula C28H33ClN8O2 and a molecular weight of 549.08 g/mol. Its IUPAC name is 1-[5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]piperidin-3-amine.

Molecular Properties

Compound Name1-[5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]piperidin-3-amine
PubChem CID135281269
Molecular FormulaC28H33ClN8O2
Molecular Weight549.08 g/mol
Exact Mass548.24
IUPAC Name1-[5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]piperidin-3-amine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(c5cnc(N6CCCC(N)C6)nc5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C28H33ClN8O2/c1-38-25-14-26(39-2)23(29)13-22(25)24-18-36-7-5-20(12-27(36)33-24)34-8-10-35(11-9-34)21-15-31-28(32-16-21)37-6-3-4-19(30)17-37/h5,7,12-16,18-19H,3-4,6,8-11,17,30H2,1-2H3
InChIKeyRIBOMTYTGWVZQE-UHFFFAOYSA-N
XLogP3.72
TPSA97.28 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.08
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-[5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]piperidin-3-amine with MolForge

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Related Compounds

2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperazin-1-yl]imidazo[1,2-a]pyridine
CID 135281275
2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]imidazo[1,2-a]pyridine
CID 135335495
2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 135335286
1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylpiperidin-4-amine
CID 135335326
2-(5-chloro-2,4-dimethoxyphenyl)-7-piperazin-1-ylimidazo[1,2-a]pyridine
CID 135281250
2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-[2-(3-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]imidazo[1,2-a]pyridine
CID 135334922
ethyl 1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidine-4-carboxylate
CID 135281370
6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyridine-3-carbonitrile
CID 135281259
4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-6-morpholin-4-ylpyrimidin-2-amine
CID 135335522
tert-butyl 4-[[[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-3-yl]amino]methyl]piperidine-1-carboxylate
CID 135335178
2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(trifluoromethylsulfonyl)-1,4-diazepan-1-yl]imidazo[1,2-a]pyridine
CID 135335056
2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]imidazo[1,2-a]pyridine
CID 135335453

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]piperidin-3-amine?
The IUPAC name of 1-[5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]piperidin-3-amine (CID 135281269) is 1-[5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]piperidin-3-amine.
What is the SMILES notation for 1-[5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]piperidin-3-amine?
The canonical SMILES for 1-[5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]piperidin-3-amine is COc1cc(OC)c(-c2cn3ccc(N4CCN(c5cnc(N6CCCC(N)C6)nc5)CC4)cc3n2)cc1Cl.
What is the InChIKey of 1-[5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]piperidin-3-amine?
The InChIKey is RIBOMTYTGWVZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33ClN8O2/c1-38-25-14-26(39-2)23(29)13-22(25)24-18-36-7-5-20(12-27(36)33-24)34-8-10-35(11-9-34)21-15-31-28(32-16-21)37-6-3-4-19(30)17-37/h5,7,12-16,18-19H,3-4,6,8-11,17,30H2,1-2H3.
What are the key properties of 1-[5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]piperidin-3-amine?
1-[5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]piperidin-3-amine has a molecular weight of 549.08 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]piperidin-3-amine is sourced from PubChem (CID 135281269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).