N-[3-bromo-1-[6-cyclopropyl-2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide

C17H15BrF2N6O — CID 170577618

About N-[3-bromo-1-[6-cyclopropyl-2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide

N-[3-bromo-1-[6-cyclopropyl-2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide (PubChem CID 170577618) has the molecular formula C17H15BrF2N6O and a molecular weight of 437.25 g/mol. Its IUPAC name is N-[3-bromo-1-[6-cyclopropyl-2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide.

Molecular Properties

• Compound Name: N-[3-bromo-1-[6-cyclopropyl-2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
• PubChem CID: 170577618
• Molecular Formula: C17H15BrF2N6O
• Molecular Weight: 437.25 g/mol
• Exact Mass: 436.05
• IUPAC Name: N-[3-bromo-1-[6-cyclopropyl-2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
• SMILES: CC(=O)Nc1cc2c(cn1)c(Br)nn2-c1cc(C2CC2)nc(C(C)(F)F)n1
• InChI: InChI=1S/C17H15BrF2N6O/c1-8(27)22-13-6-12-10(7-21-13)15(18)25-26(12)14-5-11(9-3-4-9)23-16(24-14)17(2,19)20/h5-7,9H,3-4H2,1-2H3,(H,21,22,27)
• InChIKey: WFOJXNZMXCRUGP-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 85.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.25
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-1-[6-cyclopropyl-2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?

The IUPAC name of N-[3-bromo-1-[6-cyclopropyl-2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide (CID 170577618) is N-[3-bromo-1-[6-cyclopropyl-2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide.

What is the SMILES notation for N-[3-bromo-1-[6-cyclopropyl-2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?

The canonical SMILES for N-[3-bromo-1-[6-cyclopropyl-2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide is CC(=O)Nc1cc2c(cn1)c(Br)nn2-c1cc(C2CC2)nc(C(C)(F)F)n1.

What is the InChIKey of N-[3-bromo-1-[6-cyclopropyl-2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?

The InChIKey is WFOJXNZMXCRUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrF2N6O/c1-8(27)22-13-6-12-10(7-21-13)15(18)25-26(12)14-5-11(9-3-4-9)23-16(24-14)17(2,19)20/h5-7,9H,3-4H2,1-2H3,(H,21,22,27).

What are the key properties of N-[3-bromo-1-[6-cyclopropyl-2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?

N-[3-bromo-1-[6-cyclopropyl-2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide has a molecular weight of 437.25 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-bromo-1-[6-cyclopropyl-2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 170577618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).