2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-1-morpholin-4-ylethanone

C28H31ClN8O3 — CID 68593342

IUPAC2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCOc1cc(N2CCN(CC(=O)N3CCOCC3)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C28H31ClN8O3/c1-39-24-16-20(35-10-8-34(9-11-35)19-26(38)36-12-14-40-15-13-36)5-6-22(24)32-28-31-17-21(29)27(33-28)23-18-30-25-4-2-3-7-37(23)25/h2-7,16-18H,8-15,19H2,1H3,(H,31,32,33)
InChIKeyXCKATRZWRUSHLK-UHFFFAOYSA-N
MW563.06 g/mol
LogP3.18
Rot. Bonds7

About 2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-1-morpholin-4-ylethanone

2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 68593342) has the molecular formula C28H31ClN8O3 and a molecular weight of 563.06 g/mol. Its IUPAC name is 2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-1-morpholin-4-ylethanone
PubChem CID68593342
Molecular FormulaC28H31ClN8O3
Molecular Weight563.06 g/mol
Exact Mass562.22
IUPAC Name2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCOc1cc(N2CCN(CC(=O)N3CCOCC3)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C28H31ClN8O3/c1-39-24-16-20(35-10-8-34(9-11-35)19-26(38)36-12-14-40-15-13-36)5-6-22(24)32-28-31-17-21(29)27(33-28)23-18-30-25-4-2-3-7-37(23)25/h2-7,16-18H,8-15,19H2,1H3,(H,31,32,33)
InChIKeyXCKATRZWRUSHLK-UHFFFAOYSA-N
XLogP3.18
TPSA100.36 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.06
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 59291061
2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanol
CID 45380694
2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]propanamide
CID 91082116
1-[4-[4-[[5-chloro-4-[7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 59291147
N-[4-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxyphenyl]-5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine
CID 59291184
1-[[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]methyl]azetidin-3-ol
CID 68594167
1-[4-[4-[[4-imidazo[1,2-a]pyridin-3-yl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56683651
1-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]propan-2-ol
CID 68606042
1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-fluoro-5-methoxyphenyl]piperazin-1-yl]ethanone
CID 45380508
4-imidazo[1,2-a]pyridin-3-yl-5-methoxy-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidin-2-amine
CID 68593439
N-[[3-[2-[4-(4-acetylpiperazin-1-yl)-2-methoxyanilino]-5-chloropyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl]-N-methylacetamide
CID 59291117
4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-N,N-dimethylpiperidine-1-carboxamide
CID 45381642

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-1-morpholin-4-ylethanone (CID 68593342) is 2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-1-morpholin-4-ylethanone is COc1cc(N2CCN(CC(=O)N3CCOCC3)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1.
What is the InChIKey of 2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is XCKATRZWRUSHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClN8O3/c1-39-24-16-20(35-10-8-34(9-11-35)19-26(38)36-12-14-40-15-13-36)5-6-22(24)32-28-31-17-21(29)27(33-28)23-18-30-25-4-2-3-7-37(23)25/h2-7,16-18H,8-15,19H2,1H3,(H,31,32,33).
What are the key properties of 2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 563.06 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 68593342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).