[4-amino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]-[(2-fluorophenyl)methyl]carbamic acid

C25H19F2N7O2 — CID 118247350

About [4-amino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]-[(2-fluorophenyl)methyl]carbamic acid

[4-amino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]-[(2-fluorophenyl)methyl]carbamic acid (PubChem CID 118247350) has the molecular formula C25H19F2N7O2 and a molecular weight of 487.47 g/mol. Its IUPAC name is [4-amino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]-[(2-fluorophenyl)methyl]carbamic acid.

Molecular Properties

• Compound Name: [4-amino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]-[(2-fluorophenyl)methyl]carbamic acid
• PubChem CID: 118247350
• Molecular Formula: C25H19F2N7O2
• Molecular Weight: 487.47 g/mol
• Exact Mass: 487.16
• IUPAC Name: [4-amino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]-[(2-fluorophenyl)methyl]carbamic acid
• SMILES: Nc1nc(-n2nc(Cc3ccccc3F)c3ncccc32)ncc1N(Cc1ccccc1F)C(=O)O
• InChI: InChI=1S/C25H19F2N7O2/c26-17-8-3-1-6-15(17)12-19-22-20(10-5-11-29-22)34(32-19)24-30-13-21(23(28)31-24)33(25(35)36)14-16-7-2-4-9-18(16)27/h1-11,13H,12,14H2,(H,35,36)(H2,28,30,31)
• InChIKey: LEVZMCAHVQPSGQ-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 123.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.47
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]-[(2-fluorophenyl)methyl]carbamic acid?

The IUPAC name of [4-amino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]-[(2-fluorophenyl)methyl]carbamic acid (CID 118247350) is [4-amino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]-[(2-fluorophenyl)methyl]carbamic acid.

What is the SMILES notation for [4-amino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]-[(2-fluorophenyl)methyl]carbamic acid?

The canonical SMILES for [4-amino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]-[(2-fluorophenyl)methyl]carbamic acid is Nc1nc(-n2nc(Cc3ccccc3F)c3ncccc32)ncc1N(Cc1ccccc1F)C(=O)O.

What is the InChIKey of [4-amino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]-[(2-fluorophenyl)methyl]carbamic acid?

The InChIKey is LEVZMCAHVQPSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N7O2/c26-17-8-3-1-6-15(17)12-19-22-20(10-5-11-29-22)34(32-19)24-30-13-21(23(28)31-24)33(25(35)36)14-16-7-2-4-9-18(16)27/h1-11,13H,12,14H2,(H,35,36)(H2,28,30,31).

What are the key properties of [4-amino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]-[(2-fluorophenyl)methyl]carbamic acid?

[4-amino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]-[(2-fluorophenyl)methyl]carbamic acid has a molecular weight of 487.47 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-amino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]-[(2-fluorophenyl)methyl]carbamic acid is sourced from PubChem (CID 118247350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).