5-(5-amino-3-pyridinyl)-4-fluoro-3-[(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]pyridin-2-amine

C21H16FN7S — CID 145038544

About 5-(5-amino-3-pyridinyl)-4-fluoro-3-[(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]pyridin-2-amine

5-(5-amino-3-pyridinyl)-4-fluoro-3-[(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]pyridin-2-amine (PubChem CID 145038544) has the molecular formula C21H16FN7S and a molecular weight of 417.47 g/mol. Its IUPAC name is 5-(5-amino-3-pyridinyl)-4-fluoro-3-[(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]pyridin-2-amine.

Molecular Properties

• Compound Name: 5-(5-amino-3-pyridinyl)-4-fluoro-3-[(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]pyridin-2-amine
• PubChem CID: 145038544
• Molecular Formula: C21H16FN7S
• Molecular Weight: 417.47 g/mol
• Exact Mass: 417.12
• IUPAC Name: 5-(5-amino-3-pyridinyl)-4-fluoro-3-[(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]pyridin-2-amine
• SMILES: Nc1cncc(-c2cnc(N)c(Cc3nc4nccc(-c5cccs5)c4[nH]3)c2F)c1
• InChI: InChI=1S/C21H16FN7S/c22-18-14(20(24)27-10-15(18)11-6-12(23)9-25-8-11)7-17-28-19-13(16-2-1-5-30-16)3-4-26-21(19)29-17/h1-6,8-10H,7,23H2,(H2,24,27)(H,26,28,29)
• InChIKey: NYKQVCSGJIFUNO-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 119.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.47
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-3-pyridinyl)-4-fluoro-3-[(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]pyridin-2-amine?

The IUPAC name of 5-(5-amino-3-pyridinyl)-4-fluoro-3-[(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]pyridin-2-amine (CID 145038544) is 5-(5-amino-3-pyridinyl)-4-fluoro-3-[(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]pyridin-2-amine.

What is the SMILES notation for 5-(5-amino-3-pyridinyl)-4-fluoro-3-[(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]pyridin-2-amine?

The canonical SMILES for 5-(5-amino-3-pyridinyl)-4-fluoro-3-[(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]pyridin-2-amine is Nc1cncc(-c2cnc(N)c(Cc3nc4nccc(-c5cccs5)c4[nH]3)c2F)c1.

What is the InChIKey of 5-(5-amino-3-pyridinyl)-4-fluoro-3-[(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]pyridin-2-amine?

The InChIKey is NYKQVCSGJIFUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN7S/c22-18-14(20(24)27-10-15(18)11-6-12(23)9-25-8-11)7-17-28-19-13(16-2-1-5-30-16)3-4-26-21(19)29-17/h1-6,8-10H,7,23H2,(H2,24,27)(H,26,28,29).

What are the key properties of 5-(5-amino-3-pyridinyl)-4-fluoro-3-[(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]pyridin-2-amine?

5-(5-amino-3-pyridinyl)-4-fluoro-3-[(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]pyridin-2-amine has a molecular weight of 417.47 g/mol, XLogP of 4.04, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-amino-3-pyridinyl)-4-fluoro-3-[(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 145038544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).