5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-[4-(2-methylsulfonylethyl)piperazin-1-yl]phenyl]pyrimidin-2-amine

C25H28ClN7O3S — CID 56663566

IUPAC5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-[4-(2-methylsulfonylethyl)piperazin-1-yl]phenyl]pyrimidin-2-amine
SMILESCOc1cc(N2CCN(CCS(C)(=O)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C25H28ClN7O3S/c1-36-22-15-18(32-11-9-31(10-12-32)13-14-37(2,34)35)6-7-20(22)29-25-28-16-19(26)24(30-25)21-17-27-23-5-3-4-8-33(21)23/h3-8,15-17H,9-14H2,1-2H3,(H,28,29,30)
InChIKeyUCAMAKXQBMFBLP-UHFFFAOYSA-N
MW542.07 g/mol
LogP3.36
Rot. Bonds8

About 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-[4-(2-methylsulfonylethyl)piperazin-1-yl]phenyl]pyrimidin-2-amine

5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-[4-(2-methylsulfonylethyl)piperazin-1-yl]phenyl]pyrimidin-2-amine (PubChem CID 56663566) has the molecular formula C25H28ClN7O3S and a molecular weight of 542.07 g/mol. Its IUPAC name is 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-[4-(2-methylsulfonylethyl)piperazin-1-yl]phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-[4-(2-methylsulfonylethyl)piperazin-1-yl]phenyl]pyrimidin-2-amine
PubChem CID56663566
Molecular FormulaC25H28ClN7O3S
Molecular Weight542.07 g/mol
Exact Mass541.17
IUPAC Name5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-[4-(2-methylsulfonylethyl)piperazin-1-yl]phenyl]pyrimidin-2-amine
SMILESCOc1cc(N2CCN(CCS(C)(=O)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C25H28ClN7O3S/c1-36-22-15-18(32-11-9-31(10-12-32)13-14-37(2,34)35)6-7-20(22)29-25-28-16-19(26)24(30-25)21-17-27-23-5-3-4-8-33(21)23/h3-8,15-17H,9-14H2,1-2H3,(H,28,29,30)
InChIKeyUCAMAKXQBMFBLP-UHFFFAOYSA-N
XLogP3.36
TPSA104.96 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.07
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-[4-(2-methylsulfonylethyl)piperazin-1-yl]phenyl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-[4-(2-methylsulfonylethyl)piperazin-1-yl]phenyl]pyrimidin-2-amine (CID 56663566) is 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-[4-(2-methylsulfonylethyl)piperazin-1-yl]phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-[4-(2-methylsulfonylethyl)piperazin-1-yl]phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-[4-(2-methylsulfonylethyl)piperazin-1-yl]phenyl]pyrimidin-2-amine is COc1cc(N2CCN(CCS(C)(=O)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1.
What is the InChIKey of 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-[4-(2-methylsulfonylethyl)piperazin-1-yl]phenyl]pyrimidin-2-amine?
The InChIKey is UCAMAKXQBMFBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN7O3S/c1-36-22-15-18(32-11-9-31(10-12-32)13-14-37(2,34)35)6-7-20(22)29-25-28-16-19(26)24(30-25)21-17-27-23-5-3-4-8-33(21)23/h3-8,15-17H,9-14H2,1-2H3,(H,28,29,30).
What are the key properties of 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-[4-(2-methylsulfonylethyl)piperazin-1-yl]phenyl]pyrimidin-2-amine?
5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-[4-(2-methylsulfonylethyl)piperazin-1-yl]phenyl]pyrimidin-2-amine has a molecular weight of 542.07 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-[4-(2-methylsulfonylethyl)piperazin-1-yl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 56663566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).