cis-(1S,2S)-N-[5-(5-chloro-7-cyclopentyl-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

C23H20ClF2N5O — CID 164520306

About cis-(1S,2S)-N-[5-(5-chloro-7-cyclopentyl-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

cis-(1S,2S)-N-[5-(5-chloro-7-cyclopentyl-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 164520306) has the molecular formula C23H20ClF2N5O and a molecular weight of 455.90 g/mol. Its IUPAC name is cis-(1S,2S)-N-[5-(5-chloro-7-cyclopentyl-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-chloro-7-cyclopentyl-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
• PubChem CID: 164520306
• Molecular Formula: C23H20ClF2N5O
• Molecular Weight: 455.90 g/mol
• Exact Mass: 455.13
• IUPAC Name: cis-(1S,2S)-N-[5-(5-chloro-7-cyclopentyl-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
• SMILES: O=C(Nc1cc2cc(-c3c(Cl)c(F)c(C4CCCC4)c4[nH]ncc34)ccn2n1)[C@@H]1C[C@@H]1F
• InChI: InChI=1S/C23H20ClF2N5O/c24-20-18(15-10-27-29-22(15)19(21(20)26)11-3-1-2-4-11)12-5-6-31-13(7-12)8-17(30-31)28-23(32)14-9-16(14)25/h5-8,10-11,14,16H,1-4,9H2,(H,27,29)(H,28,30,32)/t14-,16+/m1/s1
• InChIKey: BPIAAPGGXBSVTP-ZBFHGGJFSA-N
• XLogP: 5.62
• TPSA: 75.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.90
LogP ≤ 5	5.62
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-chloro-7-cyclopentyl-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-chloro-7-cyclopentyl-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 164520306) is cis-(1S,2S)-N-[5-(5-chloro-7-cyclopentyl-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-chloro-7-cyclopentyl-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-chloro-7-cyclopentyl-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is O=C(Nc1cc2cc(-c3c(Cl)c(F)c(C4CCCC4)c4[nH]ncc34)ccn2n1)[C@@H]1C[C@@H]1F.

What is the InChIKey of cis-(1S,2S)-N-[5-(5-chloro-7-cyclopentyl-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?

The InChIKey is BPIAAPGGXBSVTP-ZBFHGGJFSA-N. The full InChI is InChI=1S/C23H20ClF2N5O/c24-20-18(15-10-27-29-22(15)19(21(20)26)11-3-1-2-4-11)12-5-6-31-13(7-12)8-17(30-31)28-23(32)14-9-16(14)25/h5-8,10-11,14,16H,1-4,9H2,(H,27,29)(H,28,30,32)/t14-,16+/m1/s1.

What are the key properties of cis-(1S,2S)-N-[5-(5-chloro-7-cyclopentyl-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?

cis-(1S,2S)-N-[5-(5-chloro-7-cyclopentyl-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 455.90 g/mol, XLogP of 5.62, 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-chloro-7-cyclopentyl-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 164520306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).