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

C21H15ClF2N8O — CID 164718055

About cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1,2,4-triazol-1-ylmethyl)-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-(1,2,4-triazol-1-ylmethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 164718055) has the molecular formula C21H15ClF2N8O and a molecular weight of 468.86 g/mol. Its IUPAC name is cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1,2,4-triazol-1-ylmethyl)-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-(1,2,4-triazol-1-ylmethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
• PubChem CID: 164718055
• Molecular Formula: C21H15ClF2N8O
• Molecular Weight: 468.86 g/mol
• Exact Mass: 468.10
• IUPAC Name: cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1,2,4-triazol-1-ylmethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
• SMILES: O=C(Nc1cn2cc(-c3c(Cl)c(F)c(Cn4cncn4)c4[nH]ncc34)ccc2n1)[C@@H]1C[C@@H]1F
• InChI: InChI=1S/C21H15ClF2N8O/c22-18-17(12-4-26-30-20(12)13(19(18)24)6-32-9-25-8-27-32)10-1-2-16-28-15(7-31(16)5-10)29-21(33)11-3-14(11)23/h1-2,4-5,7-9,11,14H,3,6H2,(H,26,30)(H,29,33)/t11-,14+/m1/s1
• InChIKey: SDIFSHDAXQIMDM-RISCZKNCSA-N
• XLogP: 3.61
• TPSA: 105.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.86
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1,2,4-triazol-1-ylmethyl)-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-(1,2,4-triazol-1-ylmethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 164718055) is cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1,2,4-triazol-1-ylmethyl)-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-(1,2,4-triazol-1-ylmethyl)-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-(1,2,4-triazol-1-ylmethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is O=C(Nc1cn2cc(-c3c(Cl)c(F)c(Cn4cncn4)c4[nH]ncc34)ccc2n1)[C@@H]1C[C@@H]1F.

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

The InChIKey is SDIFSHDAXQIMDM-RISCZKNCSA-N. The full InChI is InChI=1S/C21H15ClF2N8O/c22-18-17(12-4-26-30-20(12)13(19(18)24)6-32-9-25-8-27-32)10-1-2-16-28-15(7-31(16)5-10)29-21(33)11-3-14(11)23/h1-2,4-5,7-9,11,14H,3,6H2,(H,26,30)(H,29,33)/t11-,14+/m1/s1.

What are the key properties of cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1,2,4-triazol-1-ylmethyl)-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-(1,2,4-triazol-1-ylmethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 468.86 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1,2,4-triazol-1-ylmethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 164718055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).