5-cyclopropyl-2-[1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine;propanoic acid

C23H22F2N6O2 — CID 158125501

About 5-cyclopropyl-2-[1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine;propanoic acid

5-cyclopropyl-2-[1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine;propanoic acid (PubChem CID 158125501) has the molecular formula C23H22F2N6O2 and a molecular weight of 452.47 g/mol. Its IUPAC name is 5-cyclopropyl-2-[1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine;propanoic acid.

Molecular Properties

• Compound Name: 5-cyclopropyl-2-[1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine;propanoic acid
• PubChem CID: 158125501
• Molecular Formula: C23H22F2N6O2
• Molecular Weight: 452.47 g/mol
• Exact Mass: 452.18
• IUPAC Name: 5-cyclopropyl-2-[1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine;propanoic acid
• SMILES: CCC(=O)O.Nc1nc(-c2nn(Cc3cccc(F)c3F)c3ncccc23)ncc1C1CC1
• InChI: InChI=1S/C20H16F2N6.C3H6O2/c21-15-5-1-3-12(16(15)22)10-28-20-13(4-2-8-24-20)17(27-28)19-25-9-14(11-6-7-11)18(23)26-19;1-2-3(4)5/h1-5,8-9,11H,6-7,10H2,(H2,23,25,26);2H2,1H3,(H,4,5)
• InChIKey: FSCSVCPBBWOGFW-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 119.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.47
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine;propanoic acid?

The IUPAC name of 5-cyclopropyl-2-[1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine;propanoic acid (CID 158125501) is 5-cyclopropyl-2-[1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine;propanoic acid.

What is the SMILES notation for 5-cyclopropyl-2-[1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine;propanoic acid?

The canonical SMILES for 5-cyclopropyl-2-[1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine;propanoic acid is CCC(=O)O.Nc1nc(-c2nn(Cc3cccc(F)c3F)c3ncccc23)ncc1C1CC1.

What is the InChIKey of 5-cyclopropyl-2-[1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine;propanoic acid?

The InChIKey is FSCSVCPBBWOGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N6.C3H6O2/c21-15-5-1-3-12(16(15)22)10-28-20-13(4-2-8-24-20)17(27-28)19-25-9-14(11-6-7-11)18(23)26-19;1-2-3(4)5/h1-5,8-9,11H,6-7,10H2,(H2,23,25,26);2H2,1H3,(H,4,5).

What are the key properties of 5-cyclopropyl-2-[1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine;propanoic acid?

5-cyclopropyl-2-[1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine;propanoic acid has a molecular weight of 452.47 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-2-[1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine;propanoic acid is sourced from PubChem (CID 158125501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).