N-[5-[5-chloro-6-fluoro-7-(2,2,2-trifluoro-1-hydroxyethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]formamide

C17H10ClF4N5O2 — CID 163220955

About N-[5-[5-chloro-6-fluoro-7-(2,2,2-trifluoro-1-hydroxyethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]formamide

N-[5-[5-chloro-6-fluoro-7-(2,2,2-trifluoro-1-hydroxyethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]formamide (PubChem CID 163220955) has the molecular formula C17H10ClF4N5O2 and a molecular weight of 427.75 g/mol. Its IUPAC name is N-[5-[5-chloro-6-fluoro-7-(2,2,2-trifluoro-1-hydroxyethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]formamide.

Molecular Properties

• Compound Name: N-[5-[5-chloro-6-fluoro-7-(2,2,2-trifluoro-1-hydroxyethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]formamide
• PubChem CID: 163220955
• Molecular Formula: C17H10ClF4N5O2
• Molecular Weight: 427.75 g/mol
• Exact Mass: 427.05
• IUPAC Name: N-[5-[5-chloro-6-fluoro-7-(2,2,2-trifluoro-1-hydroxyethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]formamide
• SMILES: O=CNc1cc2cc(-c3c(Cl)c(F)c(C(O)C(F)(F)F)c4[nH]ncc34)ccn2n1
• InChI: InChI=1S/C17H10ClF4N5O2/c18-13-11(7-1-2-27-8(3-7)4-10(26-27)23-6-28)9-5-24-25-15(9)12(14(13)19)16(29)17(20,21)22/h1-6,16,29H,(H,24,25)(H,23,26,28)
• InChIKey: NDAFHKAOBMEYBD-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 95.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.75
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-chloro-6-fluoro-7-(2,2,2-trifluoro-1-hydroxyethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]formamide?

The IUPAC name of N-[5-[5-chloro-6-fluoro-7-(2,2,2-trifluoro-1-hydroxyethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]formamide (CID 163220955) is N-[5-[5-chloro-6-fluoro-7-(2,2,2-trifluoro-1-hydroxyethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]formamide.

What is the SMILES notation for N-[5-[5-chloro-6-fluoro-7-(2,2,2-trifluoro-1-hydroxyethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]formamide?

The canonical SMILES for N-[5-[5-chloro-6-fluoro-7-(2,2,2-trifluoro-1-hydroxyethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]formamide is O=CNc1cc2cc(-c3c(Cl)c(F)c(C(O)C(F)(F)F)c4[nH]ncc34)ccn2n1.

What is the InChIKey of N-[5-[5-chloro-6-fluoro-7-(2,2,2-trifluoro-1-hydroxyethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]formamide?

The InChIKey is NDAFHKAOBMEYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF4N5O2/c18-13-11(7-1-2-27-8(3-7)4-10(26-27)23-6-28)9-5-24-25-15(9)12(14(13)19)16(29)17(20,21)22/h1-6,16,29H,(H,24,25)(H,23,26,28).

What are the key properties of N-[5-[5-chloro-6-fluoro-7-(2,2,2-trifluoro-1-hydroxyethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]formamide?

N-[5-[5-chloro-6-fluoro-7-(2,2,2-trifluoro-1-hydroxyethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]formamide has a molecular weight of 427.75 g/mol, XLogP of 3.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-chloro-6-fluoro-7-(2,2,2-trifluoro-1-hydroxyethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]formamide is sourced from PubChem (CID 163220955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).