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

C18H14FN7O2 — CID 118247345

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

[4-amino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]carbamic acid (PubChem CID 118247345) has the molecular formula C18H14FN7O2 and a molecular weight of 379.36 g/mol. Its IUPAC name is [4-amino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]carbamic acid.

Molecular Properties

• Compound Name: [4-amino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]carbamic acid
• PubChem CID: 118247345
• Molecular Formula: C18H14FN7O2
• Molecular Weight: 379.36 g/mol
• Exact Mass: 379.12
• IUPAC Name: [4-amino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]carbamic acid
• SMILES: Nc1nc(-n2nc(Cc3ccccc3F)c3ncccc32)ncc1NC(=O)O
• InChI: InChI=1S/C18H14FN7O2/c19-11-5-2-1-4-10(11)8-12-15-14(6-3-7-21-15)26(25-12)17-22-9-13(16(20)24-17)23-18(27)28/h1-7,9,23H,8H2,(H,27,28)(H2,20,22,24)
• InChIKey: HFYVKTGRTHQCGK-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 131.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.36
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	3
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]carbamic acid?

The IUPAC name of [4-amino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]carbamic acid (CID 118247345) is [4-amino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]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]carbamic acid?

The canonical SMILES for [4-amino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]carbamic acid is Nc1nc(-n2nc(Cc3ccccc3F)c3ncccc32)ncc1NC(=O)O.

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

The InChIKey is HFYVKTGRTHQCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN7O2/c19-11-5-2-1-4-10(11)8-12-15-14(6-3-7-21-15)26(25-12)17-22-9-13(16(20)24-17)23-18(27)28/h1-7,9,23H,8H2,(H,27,28)(H2,20,22,24).

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

[4-amino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]carbamic acid has a molecular weight of 379.36 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 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]carbamic acid is sourced from PubChem (CID 118247345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).