1-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-4-N-(4-morpholin-4-ylpyrimidin-2-yl)cyclohexane-1,4-diamine

C29H34ClN7O3 — CID 135334972

About 1-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-4-N-(4-morpholin-4-ylpyrimidin-2-yl)cyclohexane-1,4-diamine

1-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-4-N-(4-morpholin-4-ylpyrimidin-2-yl)cyclohexane-1,4-diamine (PubChem CID 135334972) has the molecular formula C29H34ClN7O3 and a molecular weight of 564.09 g/mol. Its IUPAC name is 1-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-4-N-(4-morpholin-4-ylpyrimidin-2-yl)cyclohexane-1,4-diamine.

Molecular Properties

• Compound Name: 1-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-4-N-(4-morpholin-4-ylpyrimidin-2-yl)cyclohexane-1,4-diamine
• PubChem CID: 135334972
• Molecular Formula: C29H34ClN7O3
• Molecular Weight: 564.09 g/mol
• Exact Mass: 563.24
• IUPAC Name: 1-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-4-N-(4-morpholin-4-ylpyrimidin-2-yl)cyclohexane-1,4-diamine
• SMILES: COc1cc(OC)c(-c2cn3ccc(NC4CCC(Nc5nccc(N6CCOCC6)n5)CC4)cc3n2)cc1Cl
• InChI: InChI=1S/C29H34ClN7O3/c1-38-25-17-26(39-2)23(30)16-22(25)24-18-37-10-8-21(15-28(37)34-24)32-19-3-5-20(6-4-19)33-29-31-9-7-27(35-29)36-11-13-40-14-12-36/h7-10,15-20,32H,3-6,11-14H2,1-2H3,(H,31,33,35)
• InChIKey: SXVNUZQOXHEOJE-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 98.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.09
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-4-N-(4-morpholin-4-ylpyrimidin-2-yl)cyclohexane-1,4-diamine?

The IUPAC name of 1-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-4-N-(4-morpholin-4-ylpyrimidin-2-yl)cyclohexane-1,4-diamine (CID 135334972) is 1-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-4-N-(4-morpholin-4-ylpyrimidin-2-yl)cyclohexane-1,4-diamine.

What is the SMILES notation for 1-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-4-N-(4-morpholin-4-ylpyrimidin-2-yl)cyclohexane-1,4-diamine?

The canonical SMILES for 1-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-4-N-(4-morpholin-4-ylpyrimidin-2-yl)cyclohexane-1,4-diamine is COc1cc(OC)c(-c2cn3ccc(NC4CCC(Nc5nccc(N6CCOCC6)n5)CC4)cc3n2)cc1Cl.

What is the InChIKey of 1-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-4-N-(4-morpholin-4-ylpyrimidin-2-yl)cyclohexane-1,4-diamine?

The InChIKey is SXVNUZQOXHEOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34ClN7O3/c1-38-25-17-26(39-2)23(30)16-22(25)24-18-37-10-8-21(15-28(37)34-24)32-19-3-5-20(6-4-19)33-29-31-9-7-27(35-29)36-11-13-40-14-12-36/h7-10,15-20,32H,3-6,11-14H2,1-2H3,(H,31,33,35).

What are the key properties of 1-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-4-N-(4-morpholin-4-ylpyrimidin-2-yl)cyclohexane-1,4-diamine?

1-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-4-N-(4-morpholin-4-ylpyrimidin-2-yl)cyclohexane-1,4-diamine has a molecular weight of 564.09 g/mol, XLogP of 5.13, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-4-N-(4-morpholin-4-ylpyrimidin-2-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 135334972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).