3-[[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-N-methyl-5-[5-(propan-2-ylamino)-3-pyridinyl]pyridin-2-amine

C27H26FN7 — CID 145038979

About 3-[[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-N-methyl-5-[5-(propan-2-ylamino)-3-pyridinyl]pyridin-2-amine

3-[[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-N-methyl-5-[5-(propan-2-ylamino)-3-pyridinyl]pyridin-2-amine (PubChem CID 145038979) has the molecular formula C27H26FN7 and a molecular weight of 467.55 g/mol. Its IUPAC name is 3-[[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-N-methyl-5-[5-(propan-2-ylamino)-3-pyridinyl]pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-N-methyl-5-[5-(propan-2-ylamino)-3-pyridinyl]pyridin-2-amine
• PubChem CID: 145038979
• Molecular Formula: C27H26FN7
• Molecular Weight: 467.55 g/mol
• Exact Mass: 467.22
• IUPAC Name: 3-[[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-N-methyl-5-[5-(propan-2-ylamino)-3-pyridinyl]pyridin-2-amine
• SMILES: CNc1ncc(-c2cncc(NC(C)C)c2)cc1Cc1nc2c(-c3ccc(F)cc3)nccc2[nH]1
• InChI: InChI=1S/C27H26FN7/c1-16(2)33-22-11-20(13-30-15-22)19-10-18(27(29-3)32-14-19)12-24-34-23-8-9-31-25(26(23)35-24)17-4-6-21(28)7-5-17/h4-11,13-16,33H,12H2,1-3H3,(H,29,32)(H,34,35)
• InChIKey: AFTYNWGEHSYQHU-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 91.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.55
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-N-methyl-5-[5-(propan-2-ylamino)-3-pyridinyl]pyridin-2-amine?

The IUPAC name of 3-[[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-N-methyl-5-[5-(propan-2-ylamino)-3-pyridinyl]pyridin-2-amine (CID 145038979) is 3-[[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-N-methyl-5-[5-(propan-2-ylamino)-3-pyridinyl]pyridin-2-amine.

What is the SMILES notation for 3-[[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-N-methyl-5-[5-(propan-2-ylamino)-3-pyridinyl]pyridin-2-amine?

The canonical SMILES for 3-[[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-N-methyl-5-[5-(propan-2-ylamino)-3-pyridinyl]pyridin-2-amine is CNc1ncc(-c2cncc(NC(C)C)c2)cc1Cc1nc2c(-c3ccc(F)cc3)nccc2[nH]1.

What is the InChIKey of 3-[[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-N-methyl-5-[5-(propan-2-ylamino)-3-pyridinyl]pyridin-2-amine?

The InChIKey is AFTYNWGEHSYQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN7/c1-16(2)33-22-11-20(13-30-15-22)19-10-18(27(29-3)32-14-19)12-24-34-23-8-9-31-25(26(23)35-24)17-4-6-21(28)7-5-17/h4-11,13-16,33H,12H2,1-3H3,(H,29,32)(H,34,35).

What are the key properties of 3-[[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-N-methyl-5-[5-(propan-2-ylamino)-3-pyridinyl]pyridin-2-amine?

3-[[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-N-methyl-5-[5-(propan-2-ylamino)-3-pyridinyl]pyridin-2-amine has a molecular weight of 467.55 g/mol, XLogP of 5.67, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-N-methyl-5-[5-(propan-2-ylamino)-3-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 145038979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).