5-[4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methylpyridine-2-carboxamide

C30H32N8O2 — CID 118413837

About 5-[4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methylpyridine-2-carboxamide

5-[4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methylpyridine-2-carboxamide (PubChem CID 118413837) has the molecular formula C30H32N8O2 and a molecular weight of 536.64 g/mol. Its IUPAC name is 5-[4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methylpyridine-2-carboxamide
• PubChem CID: 118413837
• Molecular Formula: C30H32N8O2
• Molecular Weight: 536.64 g/mol
• Exact Mass: 536.26
• IUPAC Name: 5-[4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methylpyridine-2-carboxamide
• SMILES: CNC(=O)c1ccc(-c2cc3c(N4CCC(C)(c5nc(-c6cccc(OC)c6)c(C)[nH]5)CC4)ncnc3[nH]2)cn1
• InChI: InChI=1S/C30H32N8O2/c1-18-25(19-6-5-7-21(14-19)40-4)37-29(35-18)30(2)10-12-38(13-11-30)27-22-15-24(36-26(22)33-17-34-27)20-8-9-23(32-16-20)28(39)31-3/h5-9,14-17H,10-13H2,1-4H3,(H,31,39)(H,35,37)(H,33,34,36)
• InChIKey: VKOFQLXLUXJKTQ-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 124.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.64
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methylpyridine-2-carboxamide?

The IUPAC name of 5-[4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methylpyridine-2-carboxamide (CID 118413837) is 5-[4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methylpyridine-2-carboxamide.

What is the SMILES notation for 5-[4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methylpyridine-2-carboxamide?

The canonical SMILES for 5-[4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(-c2cc3c(N4CCC(C)(c5nc(-c6cccc(OC)c6)c(C)[nH]5)CC4)ncnc3[nH]2)cn1.

What is the InChIKey of 5-[4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methylpyridine-2-carboxamide?

The InChIKey is VKOFQLXLUXJKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N8O2/c1-18-25(19-6-5-7-21(14-19)40-4)37-29(35-18)30(2)10-12-38(13-11-30)27-22-15-24(36-26(22)33-17-34-27)20-8-9-23(32-16-20)28(39)31-3/h5-9,14-17H,10-13H2,1-4H3,(H,31,39)(H,35,37)(H,33,34,36).

What are the key properties of 5-[4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methylpyridine-2-carboxamide?

5-[4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 536.64 g/mol, XLogP of 4.64, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 118413837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).