N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-4-[[3-(oxan-2-yl)-2H-indazol-4-yl]methyl]-1H-imidazo[4,5-c]pyridin-6-amine

C30H35N9O2 — CID 90176635

About N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-4-[[3-(oxan-2-yl)-2H-indazol-4-yl]methyl]-1H-imidazo[4,5-c]pyridin-6-amine

N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-4-[[3-(oxan-2-yl)-2H-indazol-4-yl]methyl]-1H-imidazo[4,5-c]pyridin-6-amine (PubChem CID 90176635) has the molecular formula C30H35N9O2 and a molecular weight of 553.67 g/mol. Its IUPAC name is N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-4-[[3-(oxan-2-yl)-2H-indazol-4-yl]methyl]-1H-imidazo[4,5-c]pyridin-6-amine.

Molecular Properties

• Compound Name: N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-4-[[3-(oxan-2-yl)-2H-indazol-4-yl]methyl]-1H-imidazo[4,5-c]pyridin-6-amine
• PubChem CID: 90176635
• Molecular Formula: C30H35N9O2
• Molecular Weight: 553.67 g/mol
• Exact Mass: 553.29
• IUPAC Name: N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-4-[[3-(oxan-2-yl)-2H-indazol-4-yl]methyl]-1H-imidazo[4,5-c]pyridin-6-amine
• SMILES: COC1CCN(c2nccc(Nc3cc4[nH]c(C)nc4c(Cc4cccc5n[nH]c(C6CCCCO6)c45)n3)n2)CC1
• InChI: InChI=1S/C30H35N9O2/c1-18-32-23-17-26(35-25-9-12-31-30(36-25)39-13-10-20(40-2)11-14-39)34-22(28(23)33-18)16-19-6-5-7-21-27(19)29(38-37-21)24-8-3-4-15-41-24/h5-7,9,12,17,20,24H,3-4,8,10-11,13-16H2,1-2H3,(H,32,33)(H,37,38)(H,31,34,35,36)
• InChIKey: QPIKPTPXMGICDZ-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 129.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	553.67
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-4-[[3-(oxan-2-yl)-2H-indazol-4-yl]methyl]-1H-imidazo[4,5-c]pyridin-6-amine?

The IUPAC name of N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-4-[[3-(oxan-2-yl)-2H-indazol-4-yl]methyl]-1H-imidazo[4,5-c]pyridin-6-amine (CID 90176635) is N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-4-[[3-(oxan-2-yl)-2H-indazol-4-yl]methyl]-1H-imidazo[4,5-c]pyridin-6-amine.

What is the SMILES notation for N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-4-[[3-(oxan-2-yl)-2H-indazol-4-yl]methyl]-1H-imidazo[4,5-c]pyridin-6-amine?

The canonical SMILES for N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-4-[[3-(oxan-2-yl)-2H-indazol-4-yl]methyl]-1H-imidazo[4,5-c]pyridin-6-amine is COC1CCN(c2nccc(Nc3cc4[nH]c(C)nc4c(Cc4cccc5n[nH]c(C6CCCCO6)c45)n3)n2)CC1.

What is the InChIKey of N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-4-[[3-(oxan-2-yl)-2H-indazol-4-yl]methyl]-1H-imidazo[4,5-c]pyridin-6-amine?

The InChIKey is QPIKPTPXMGICDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N9O2/c1-18-32-23-17-26(35-25-9-12-31-30(36-25)39-13-10-20(40-2)11-14-39)34-22(28(23)33-18)16-19-6-5-7-21-27(19)29(38-37-21)24-8-3-4-15-41-24/h5-7,9,12,17,20,24H,3-4,8,10-11,13-16H2,1-2H3,(H,32,33)(H,37,38)(H,31,34,35,36).

What are the key properties of N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-4-[[3-(oxan-2-yl)-2H-indazol-4-yl]methyl]-1H-imidazo[4,5-c]pyridin-6-amine?

N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-4-[[3-(oxan-2-yl)-2H-indazol-4-yl]methyl]-1H-imidazo[4,5-c]pyridin-6-amine has a molecular weight of 553.67 g/mol, XLogP of 5.12, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-4-[[3-(oxan-2-yl)-2H-indazol-4-yl]methyl]-1H-imidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 90176635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).