4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)pyrimidin-2-amine

C27H22N8 — CID 142395658

About 4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)pyrimidin-2-amine

4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)pyrimidin-2-amine (PubChem CID 142395658) has the molecular formula C27H22N8 and a molecular weight of 458.53 g/mol. Its IUPAC name is 4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)pyrimidin-2-amine
• PubChem CID: 142395658
• Molecular Formula: C27H22N8
• Molecular Weight: 458.53 g/mol
• Exact Mass: 458.20
• IUPAC Name: 4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)pyrimidin-2-amine
• SMILES: CCn1cc(-c2ccnc(Nc3ccc(-c4cn5ccccc5n4)cc3)n2)c(-c2cccnc2)n1
• InChI: InChI=1S/C27H22N8/c1-2-35-17-22(26(33-35)20-6-5-13-28-16-20)23-12-14-29-27(32-23)30-21-10-8-19(9-11-21)24-18-34-15-4-3-7-25(34)31-24/h3-18H,2H2,1H3,(H,29,30,32)
• InChIKey: HORKZCPIKMWYRZ-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 85.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.53
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)pyrimidin-2-amine?

The IUPAC name of 4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)pyrimidin-2-amine (CID 142395658) is 4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)pyrimidin-2-amine.

What is the SMILES notation for 4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)pyrimidin-2-amine?

The canonical SMILES for 4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)pyrimidin-2-amine is CCn1cc(-c2ccnc(Nc3ccc(-c4cn5ccccc5n4)cc3)n2)c(-c2cccnc2)n1.

What is the InChIKey of 4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)pyrimidin-2-amine?

The InChIKey is HORKZCPIKMWYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N8/c1-2-35-17-22(26(33-35)20-6-5-13-28-16-20)23-12-14-29-27(32-23)30-21-10-8-19(9-11-21)24-18-34-15-4-3-7-25(34)31-24/h3-18H,2H2,1H3,(H,29,30,32).

What are the key properties of 4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)pyrimidin-2-amine?

4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)pyrimidin-2-amine has a molecular weight of 458.53 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 142395658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).