2-amino-N-[1-[4-chloro-7-(difluoromethoxy)-1H-indazol-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H14ClF2N7O2 — CID 129097824

About 2-amino-N-[1-[4-chloro-7-(difluoromethoxy)-1H-indazol-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[1-[4-chloro-7-(difluoromethoxy)-1H-indazol-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129097824) has the molecular formula C17H14ClF2N7O2 and a molecular weight of 421.80 g/mol. Its IUPAC name is 2-amino-N-[1-[4-chloro-7-(difluoromethoxy)-1H-indazol-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[1-[4-chloro-7-(difluoromethoxy)-1H-indazol-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 129097824
• Molecular Formula: C17H14ClF2N7O2
• Molecular Weight: 421.80 g/mol
• Exact Mass: 421.09
• IUPAC Name: 2-amino-N-[1-[4-chloro-7-(difluoromethoxy)-1H-indazol-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1OC(F)F
• InChI: InChI=1S/C17H14ClF2N7O2/c1-7(24-16(28)11-14(21)26-27-4-2-3-22-15(11)27)8-5-10(18)9-6-23-25-12(9)13(8)29-17(19)20/h2-7,17H,1H3,(H2,21,26)(H,23,25)(H,24,28)
• InChIKey: SRBXJDLURKPHJZ-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 123.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.80
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[4-chloro-7-(difluoromethoxy)-1H-indazol-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 2-amino-N-[1-[4-chloro-7-(difluoromethoxy)-1H-indazol-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129097824) is 2-amino-N-[1-[4-chloro-7-(difluoromethoxy)-1H-indazol-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 2-amino-N-[1-[4-chloro-7-(difluoromethoxy)-1H-indazol-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 2-amino-N-[1-[4-chloro-7-(difluoromethoxy)-1H-indazol-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1OC(F)F.

What is the InChIKey of 2-amino-N-[1-[4-chloro-7-(difluoromethoxy)-1H-indazol-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is SRBXJDLURKPHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2N7O2/c1-7(24-16(28)11-14(21)26-27-4-2-3-22-15(11)27)8-5-10(18)9-6-23-25-12(9)13(8)29-17(19)20/h2-7,17H,1H3,(H2,21,26)(H,23,25)(H,24,28).

What are the key properties of 2-amino-N-[1-[4-chloro-7-(difluoromethoxy)-1H-indazol-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

2-amino-N-[1-[4-chloro-7-(difluoromethoxy)-1H-indazol-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 421.80 g/mol, XLogP of 2.93, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[1-[4-chloro-7-(difluoromethoxy)-1H-indazol-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129097824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).