5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(3-methylpyrrol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide

C27H26N8O — CID 161211005

About 5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(3-methylpyrrol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide

5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(3-methylpyrrol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide (PubChem CID 161211005) has the molecular formula C27H26N8O and a molecular weight of 478.56 g/mol. Its IUPAC name is 5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(3-methylpyrrol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(3-methylpyrrol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide
• PubChem CID: 161211005
• Molecular Formula: C27H26N8O
• Molecular Weight: 478.56 g/mol
• Exact Mass: 478.22
• IUPAC Name: 5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(3-methylpyrrol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide
• SMILES: Cc1ccn(-c2ccc(CNC(=O)c3ccc(-c4nc(C)cc(Cc5cc(C)[nH]n5)n4)cn3)cn2)c1
• InChI: InChI=1S/C27H26N8O/c1-17-8-9-35(16-17)25-7-4-20(13-29-25)14-30-27(36)24-6-5-21(15-28-24)26-31-18(2)10-22(32-26)12-23-11-19(3)33-34-23/h4-11,13,15-16H,12,14H2,1-3H3,(H,30,36)(H,33,34)
• InChIKey: IFROOXAEZHVNJK-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 114.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.56
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(3-methylpyrrol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide?

The IUPAC name of 5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(3-methylpyrrol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide (CID 161211005) is 5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(3-methylpyrrol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide.

What is the SMILES notation for 5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(3-methylpyrrol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide?

The canonical SMILES for 5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(3-methylpyrrol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide is Cc1ccn(-c2ccc(CNC(=O)c3ccc(-c4nc(C)cc(Cc5cc(C)[nH]n5)n4)cn3)cn2)c1.

What is the InChIKey of 5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(3-methylpyrrol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide?

The InChIKey is IFROOXAEZHVNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N8O/c1-17-8-9-35(16-17)25-7-4-20(13-29-25)14-30-27(36)24-6-5-21(15-28-24)26-31-18(2)10-22(32-26)12-23-11-19(3)33-34-23/h4-11,13,15-16H,12,14H2,1-3H3,(H,30,36)(H,33,34).

What are the key properties of 5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(3-methylpyrrol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide?

5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(3-methylpyrrol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide has a molecular weight of 478.56 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(3-methylpyrrol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 161211005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).