1-[4-[4-[[5-chloro-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone

C25H26ClN7O3 — CID 56683652

IUPAC1-[4-[4-[[5-chloro-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
SMILESCOc1ccn2c(-c3nc(Nc4ccc(N5CCN(C(C)=O)CC5)cc4OC)ncc3Cl)cnc2c1
InChIInChI=1S/C25H26ClN7O3/c1-16(34)31-8-10-32(11-9-31)17-4-5-20(22(12-17)36-3)29-25-28-14-19(26)24(30-25)21-15-27-23-13-18(35-2)6-7-33(21)23/h4-7,12-15H,8-11H2,1-3H3,(H,28,29,30)
InChIKeyHQWMHIYZVJUHKF-UHFFFAOYSA-N
MW507.98 g/mol
LogP3.87
Rot. Bonds6

About 1-[4-[4-[[5-chloro-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone

1-[4-[4-[[5-chloro-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone (PubChem CID 56683652) has the molecular formula C25H26ClN7O3 and a molecular weight of 507.98 g/mol. Its IUPAC name is 1-[4-[4-[[5-chloro-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[[5-chloro-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
PubChem CID56683652
Molecular FormulaC25H26ClN7O3
Molecular Weight507.98 g/mol
Exact Mass507.18
IUPAC Name1-[4-[4-[[5-chloro-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
SMILESCOc1ccn2c(-c3nc(Nc4ccc(N5CCN(C(C)=O)CC5)cc4OC)ncc3Cl)cnc2c1
InChIInChI=1S/C25H26ClN7O3/c1-16(34)31-8-10-32(11-9-31)17-4-5-20(22(12-17)36-3)29-25-28-14-19(26)24(30-25)21-15-27-23-13-18(35-2)6-7-33(21)23/h4-7,12-15H,8-11H2,1-3H3,(H,28,29,30)
InChIKeyHQWMHIYZVJUHKF-UHFFFAOYSA-N
XLogP3.87
TPSA97.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.98
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[4-[4-[[5-chloro-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[[5-chloro-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[[5-chloro-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone (CID 56683652) is 1-[4-[4-[[5-chloro-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[[5-chloro-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[[5-chloro-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone is COc1ccn2c(-c3nc(Nc4ccc(N5CCN(C(C)=O)CC5)cc4OC)ncc3Cl)cnc2c1.
What is the InChIKey of 1-[4-[4-[[5-chloro-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone?
The InChIKey is HQWMHIYZVJUHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN7O3/c1-16(34)31-8-10-32(11-9-31)17-4-5-20(22(12-17)36-3)29-25-28-14-19(26)24(30-25)21-15-27-23-13-18(35-2)6-7-33(21)23/h4-7,12-15H,8-11H2,1-3H3,(H,28,29,30).
What are the key properties of 1-[4-[4-[[5-chloro-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone?
1-[4-[4-[[5-chloro-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone has a molecular weight of 507.98 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[[5-chloro-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 56683652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).