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

C20H16ClF2N5O2 — CID 164520285

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

cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1-hydroxyethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 164520285) has the molecular formula C20H16ClF2N5O2 and a molecular weight of 431.83 g/mol. Its IUPAC name is cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1-hydroxyethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1-hydroxyethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
• PubChem CID: 164520285
• Molecular Formula: C20H16ClF2N5O2
• Molecular Weight: 431.83 g/mol
• Exact Mass: 431.10
• IUPAC Name: cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1-hydroxyethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
• SMILES: CC(O)c1c(F)c(Cl)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)cn3c2)c2cn[nH]c12
• InChI: InChI=1S/C20H16ClF2N5O2/c1-8(29)15-18(23)17(21)16(11-5-24-27-19(11)15)9-2-3-14-25-13(7-28(14)6-9)26-20(30)10-4-12(10)22/h2-3,5-8,10,12,29H,4H2,1H3,(H,24,27)(H,26,30)/t8?,10-,12+/m1/s1
• InChIKey: XTOJQGAKJOZMAH-FVIPRIBZSA-N
• XLogP: 4.02
• TPSA: 95.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.83
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1-hydroxyethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 164520285) is cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1-hydroxyethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.

What is the SMILES notation for cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1-hydroxyethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?

The canonical SMILES for cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1-hydroxyethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is CC(O)c1c(F)c(Cl)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)cn3c2)c2cn[nH]c12.

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

The InChIKey is XTOJQGAKJOZMAH-FVIPRIBZSA-N. The full InChI is InChI=1S/C20H16ClF2N5O2/c1-8(29)15-18(23)17(21)16(11-5-24-27-19(11)15)9-2-3-14-25-13(7-28(14)6-9)26-20(30)10-4-12(10)22/h2-3,5-8,10,12,29H,4H2,1H3,(H,24,27)(H,26,30)/t8?,10-,12+/m1/s1.

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

cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1-hydroxyethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 431.83 g/mol, XLogP of 4.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1-hydroxyethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 164520285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).