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

C21H16ClF2N5O2 — CID 164520432

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

cis-(1S,2S)-N-[6-(5-chloro-7-cyclopropyloxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 164520432) has the molecular formula C21H16ClF2N5O2 and a molecular weight of 443.84 g/mol. Its IUPAC name is cis-(1S,2S)-N-[6-(5-chloro-7-cyclopropyloxy-6-fluoro-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-7-cyclopropyloxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
• PubChem CID: 164520432
• Molecular Formula: C21H16ClF2N5O2
• Molecular Weight: 443.84 g/mol
• Exact Mass: 443.10
• IUPAC Name: cis-(1S,2S)-N-[6-(5-chloro-7-cyclopropyloxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
• SMILES: O=C(Nc1cn2cc(-c3c(Cl)c(F)c(OC4CC4)c4[nH]ncc34)ccc2n1)[C@@H]1C[C@@H]1F
• InChI: InChI=1S/C21H16ClF2N5O2/c22-17-16(12-6-25-28-19(12)20(18(17)24)31-10-2-3-10)9-1-4-15-26-14(8-29(15)7-9)27-21(30)11-5-13(11)23/h1,4,6-8,10-11,13H,2-3,5H2,(H,25,28)(H,27,30)/t11-,13+/m1/s1
• InChIKey: KTMBMONIRIZIOG-YPMHNXCESA-N
• XLogP: 4.51
• TPSA: 84.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.84
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[6-(5-chloro-7-cyclopropyloxy-6-fluoro-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-7-cyclopropyloxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 164520432) is cis-(1S,2S)-N-[6-(5-chloro-7-cyclopropyloxy-6-fluoro-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-7-cyclopropyloxy-6-fluoro-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-7-cyclopropyloxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is O=C(Nc1cn2cc(-c3c(Cl)c(F)c(OC4CC4)c4[nH]ncc34)ccc2n1)[C@@H]1C[C@@H]1F.

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

The InChIKey is KTMBMONIRIZIOG-YPMHNXCESA-N. The full InChI is InChI=1S/C21H16ClF2N5O2/c22-17-16(12-6-25-28-19(12)20(18(17)24)31-10-2-3-10)9-1-4-15-26-14(8-29(15)7-9)27-21(30)11-5-13(11)23/h1,4,6-8,10-11,13H,2-3,5H2,(H,25,28)(H,27,30)/t11-,13+/m1/s1.

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

cis-(1S,2S)-N-[6-(5-chloro-7-cyclopropyloxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 443.84 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,2S)-N-[6-(5-chloro-7-cyclopropyloxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 164520432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).