5-(cyclopropylmethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine

C21H19FN6 — CID 137444694

About 5-(cyclopropylmethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine

5-(cyclopropylmethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine (PubChem CID 137444694) has the molecular formula C21H19FN6 and a molecular weight of 374.42 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-(cyclopropylmethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine
• PubChem CID: 137444694
• Molecular Formula: C21H19FN6
• Molecular Weight: 374.42 g/mol
• Exact Mass: 374.17
• IUPAC Name: 5-(cyclopropylmethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine
• SMILES: Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1CC1CC1
• InChI: InChI=1S/C21H19FN6/c22-17-6-2-1-4-14(17)12-28-21-16(5-3-9-24-21)18(27-28)20-25-11-15(19(23)26-20)10-13-7-8-13/h1-6,9,11,13H,7-8,10,12H2,(H2,23,25,26)
• InChIKey: OHIBDPIEYAQGTM-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 82.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.42
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-(cyclopropylmethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine (CID 137444694) is 5-(cyclopropylmethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine.

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

The canonical SMILES for 5-(cyclopropylmethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine is Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1CC1CC1.

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

The InChIKey is OHIBDPIEYAQGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6/c22-17-6-2-1-4-14(17)12-28-21-16(5-3-9-24-21)18(27-28)20-25-11-15(19(23)26-20)10-13-7-8-13/h1-6,9,11,13H,7-8,10,12H2,(H2,23,25,26).

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

5-(cyclopropylmethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine has a molecular weight of 374.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(cyclopropylmethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 137444694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).