Cis-(1S,2S)-N-[5-(5-ethyl-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

C₂₀H₁₇F₂N₅O — CID 164520370

About Cis-(1S,2S)-N-[5-(5-ethyl-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

Cis-(1S,2S)-N-[5-(5-ethyl-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 164520370) has the molecular formula C₂₀H₁₇F₂N₅O and a molecular weight of 381.39 g/mol. Its IUPAC name is cis-(1S,2S)-N-[5-(5-ethyl-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: Cis-(1S,2S)-N-[5-(5-ethyl-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
• PubChem CID: 164520370
• Molecular Formula: C₂₀H₁₇F₂N₅O
• Molecular Weight: 381.39 g/mol
• Exact Mass: 381.14
• IUPAC Name: cis-(1S,2S)-N-[5-(5-ethyl-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
• SMILES: CCc1c(F)cc2[nH]ncc2c1-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
• InChI: InChI=1S/C20H17F2N5O/c1-2-12-16(22)8-17-14(9-23-25-17)19(12)10-3-4-27-11(5-10)6-18(26-27)24-20(28)13-7-15(13)21/h3-6,8-9,13,15H,2,7H2,1H3,(H,23,25)(H,24,26,28)/t13-,15+/m1/s1
• InChIKey: APRSJKQFAPWMEO-HIFRSBDPSA-N
• XLogP: 3.88
• TPSA: 75.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.39
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Cis-(1S,2S)-N-[5-(5-ethyl-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?

The IUPAC name of Cis-(1S,2S)-N-[5-(5-ethyl-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 164520370) is cis-(1S,2S)-N-[5-(5-ethyl-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.

What is the SMILES notation for Cis-(1S,2S)-N-[5-(5-ethyl-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?

The canonical SMILES for Cis-(1S,2S)-N-[5-(5-ethyl-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is CCc1c(F)cc2[nH]ncc2c1-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1.

What is the InChIKey of Cis-(1S,2S)-N-[5-(5-ethyl-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?

The InChIKey is APRSJKQFAPWMEO-HIFRSBDPSA-N. The full InChI is InChI=1S/C20H17F2N5O/c1-2-12-16(22)8-17-14(9-23-25-17)19(12)10-3-4-27-11(5-10)6-18(26-27)24-20(28)13-7-15(13)21/h3-6,8-9,13,15H,2,7H2,1H3,(H,23,25)(H,24,26,28)/t13-,15+/m1/s1.

What are the key properties of Cis-(1S,2S)-N-[5-(5-ethyl-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?

Cis-(1S,2S)-N-[5-(5-ethyl-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 381.39 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Cis-(1S,2S)-N-[5-(5-ethyl-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 164520370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 164520370 — identifiers, structure, computed properties (public domain)

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