N-(cyclopropylmethyl)-5-[3-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]propyl]pyridine-2-carboxamide

C26H32FN7O2 — CID 91137364

About N-(cyclopropylmethyl)-5-[3-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]propyl]pyridine-2-carboxamide

N-(cyclopropylmethyl)-5-[3-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]propyl]pyridine-2-carboxamide (PubChem CID 91137364) has the molecular formula C26H32FN7O2 and a molecular weight of 493.59 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-[3-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]propyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-(cyclopropylmethyl)-5-[3-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]propyl]pyridine-2-carboxamide
• PubChem CID: 91137364
• Molecular Formula: C26H32FN7O2
• Molecular Weight: 493.59 g/mol
• Exact Mass: 493.26
• IUPAC Name: N-(cyclopropylmethyl)-5-[3-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]propyl]pyridine-2-carboxamide
• SMILES: Cc1ncc(-c2nc(NCCCc3ccc(C(=O)NCC4CC4)nc3)ncc2F)n1C1CCOCC1
• InChI: InChI=1S/C26H32FN7O2/c1-17-29-16-23(34(17)20-8-11-36-12-9-20)24-21(27)15-32-26(33-24)28-10-2-3-18-6-7-22(30-13-18)25(35)31-14-19-4-5-19/h6-7,13,15-16,19-20H,2-5,8-12,14H2,1H3,(H,31,35)(H,28,32,33)
• InChIKey: WEHSHJGCDDRRMX-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 106.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.59
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-[3-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]propyl]pyridine-2-carboxamide?

The IUPAC name of N-(cyclopropylmethyl)-5-[3-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]propyl]pyridine-2-carboxamide (CID 91137364) is N-(cyclopropylmethyl)-5-[3-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]propyl]pyridine-2-carboxamide.

What is the SMILES notation for N-(cyclopropylmethyl)-5-[3-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]propyl]pyridine-2-carboxamide?

The canonical SMILES for N-(cyclopropylmethyl)-5-[3-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]propyl]pyridine-2-carboxamide is Cc1ncc(-c2nc(NCCCc3ccc(C(=O)NCC4CC4)nc3)ncc2F)n1C1CCOCC1.

What is the InChIKey of N-(cyclopropylmethyl)-5-[3-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]propyl]pyridine-2-carboxamide?

The InChIKey is WEHSHJGCDDRRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN7O2/c1-17-29-16-23(34(17)20-8-11-36-12-9-20)24-21(27)15-32-26(33-24)28-10-2-3-18-6-7-22(30-13-18)25(35)31-14-19-4-5-19/h6-7,13,15-16,19-20H,2-5,8-12,14H2,1H3,(H,31,35)(H,28,32,33).

What are the key properties of N-(cyclopropylmethyl)-5-[3-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]propyl]pyridine-2-carboxamide?

N-(cyclopropylmethyl)-5-[3-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]propyl]pyridine-2-carboxamide has a molecular weight of 493.59 g/mol, XLogP of 3.72, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopropylmethyl)-5-[3-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]propyl]pyridine-2-carboxamide is sourced from PubChem (CID 91137364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).