4-[2-(3,4-dihydropyridin-6-yl)-5-[3-(3-methylphenyl)pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-7-yl]morpholine

C25H25N7O — CID 172568672

About 4-[2-(3,4-dihydropyridin-6-yl)-5-[3-(3-methylphenyl)pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-7-yl]morpholine

4-[2-(3,4-dihydropyridin-6-yl)-5-[3-(3-methylphenyl)pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-7-yl]morpholine (PubChem CID 172568672) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is 4-[2-(3,4-dihydropyridin-6-yl)-5-[3-(3-methylphenyl)pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-7-yl]morpholine.

Molecular Properties

• Compound Name: 4-[2-(3,4-dihydropyridin-6-yl)-5-[3-(3-methylphenyl)pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-7-yl]morpholine
• PubChem CID: 172568672
• Molecular Formula: C25H25N7O
• Molecular Weight: 439.52 g/mol
• Exact Mass: 439.21
• IUPAC Name: 4-[2-(3,4-dihydropyridin-6-yl)-5-[3-(3-methylphenyl)pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-7-yl]morpholine
• SMILES: Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)c4[nH]c(C5=CCCC=N5)nc4n3)n2)c1
• InChI: InChI=1S/C25H25N7O/c1-17-5-4-6-18(15-17)19-8-10-32(30-19)22-16-21(31-11-13-33-14-12-31)23-25(27-22)29-24(28-23)20-7-2-3-9-26-20/h4-10,15-16H,2-3,11-14H2,1H3,(H,27,28,29)
• InChIKey: GCQFRWJCUIUESO-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 84.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.52
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dihydropyridin-6-yl)-5-[3-(3-methylphenyl)pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-7-yl]morpholine?

The IUPAC name of 4-[2-(3,4-dihydropyridin-6-yl)-5-[3-(3-methylphenyl)pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-7-yl]morpholine (CID 172568672) is 4-[2-(3,4-dihydropyridin-6-yl)-5-[3-(3-methylphenyl)pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-7-yl]morpholine.

What is the SMILES notation for 4-[2-(3,4-dihydropyridin-6-yl)-5-[3-(3-methylphenyl)pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-7-yl]morpholine?

The canonical SMILES for 4-[2-(3,4-dihydropyridin-6-yl)-5-[3-(3-methylphenyl)pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-7-yl]morpholine is Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)c4[nH]c(C5=CCCC=N5)nc4n3)n2)c1.

What is the InChIKey of 4-[2-(3,4-dihydropyridin-6-yl)-5-[3-(3-methylphenyl)pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-7-yl]morpholine?

The InChIKey is GCQFRWJCUIUESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O/c1-17-5-4-6-18(15-17)19-8-10-32(30-19)22-16-21(31-11-13-33-14-12-31)23-25(27-22)29-24(28-23)20-7-2-3-9-26-20/h4-10,15-16H,2-3,11-14H2,1H3,(H,27,28,29).

What are the key properties of 4-[2-(3,4-dihydropyridin-6-yl)-5-[3-(3-methylphenyl)pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-7-yl]morpholine?

4-[2-(3,4-dihydropyridin-6-yl)-5-[3-(3-methylphenyl)pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-7-yl]morpholine has a molecular weight of 439.52 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(3,4-dihydropyridin-6-yl)-5-[3-(3-methylphenyl)pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-7-yl]morpholine is sourced from PubChem (CID 172568672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).