N-(2-imidazol-1-ylethyl)-6-[[2-(4-methoxypiperidin-1-yl)-4,5-dihydropyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide

C26H35N9O2 — CID 163760420

About N-(2-imidazol-1-ylethyl)-6-[[2-(4-methoxypiperidin-1-yl)-4,5-dihydropyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide

N-(2-imidazol-1-ylethyl)-6-[[2-(4-methoxypiperidin-1-yl)-4,5-dihydropyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide (PubChem CID 163760420) has the molecular formula C26H35N9O2 and a molecular weight of 505.63 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-6-[[2-(4-methoxypiperidin-1-yl)-4,5-dihydropyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-imidazol-1-ylethyl)-6-[[2-(4-methoxypiperidin-1-yl)-4,5-dihydropyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide
• PubChem CID: 163760420
• Molecular Formula: C26H35N9O2
• Molecular Weight: 505.63 g/mol
• Exact Mass: 505.29
• IUPAC Name: N-(2-imidazol-1-ylethyl)-6-[[2-(4-methoxypiperidin-1-yl)-4,5-dihydropyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide
• SMILES: COC1CCN(C2=NC(Nc3cc4c(cn3)c(C(=O)NCCn3ccnc3)cn4C(C)C)CC=N2)CC1
• InChI: InChI=1S/C26H35N9O2/c1-18(2)35-16-21(25(36)28-9-13-33-12-8-27-17-33)20-15-30-24(14-22(20)35)31-23-4-7-29-26(32-23)34-10-5-19(37-3)6-11-34/h7-8,12,14-19,23H,4-6,9-11,13H2,1-3H3,(H,28,36)(H,30,31)
• InChIKey: LXSIWMQBEUABKR-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 113.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.63
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-6-[[2-(4-methoxypiperidin-1-yl)-4,5-dihydropyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide?

The IUPAC name of N-(2-imidazol-1-ylethyl)-6-[[2-(4-methoxypiperidin-1-yl)-4,5-dihydropyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide (CID 163760420) is N-(2-imidazol-1-ylethyl)-6-[[2-(4-methoxypiperidin-1-yl)-4,5-dihydropyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide.

What is the SMILES notation for N-(2-imidazol-1-ylethyl)-6-[[2-(4-methoxypiperidin-1-yl)-4,5-dihydropyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide?

The canonical SMILES for N-(2-imidazol-1-ylethyl)-6-[[2-(4-methoxypiperidin-1-yl)-4,5-dihydropyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide is COC1CCN(C2=NC(Nc3cc4c(cn3)c(C(=O)NCCn3ccnc3)cn4C(C)C)CC=N2)CC1.

What is the InChIKey of N-(2-imidazol-1-ylethyl)-6-[[2-(4-methoxypiperidin-1-yl)-4,5-dihydropyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide?

The InChIKey is LXSIWMQBEUABKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N9O2/c1-18(2)35-16-21(25(36)28-9-13-33-12-8-27-17-33)20-15-30-24(14-22(20)35)31-23-4-7-29-26(32-23)34-10-5-19(37-3)6-11-34/h7-8,12,14-19,23H,4-6,9-11,13H2,1-3H3,(H,28,36)(H,30,31).

What are the key properties of N-(2-imidazol-1-ylethyl)-6-[[2-(4-methoxypiperidin-1-yl)-4,5-dihydropyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide?

N-(2-imidazol-1-ylethyl)-6-[[2-(4-methoxypiperidin-1-yl)-4,5-dihydropyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide has a molecular weight of 505.63 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-imidazol-1-ylethyl)-6-[[2-(4-methoxypiperidin-1-yl)-4,5-dihydropyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 163760420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).