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

C21H16ClF2N9O — CID 164520265

About cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[(1S)-1-(tetrazol-1-yl)ethyl]-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-[(1S)-1-(tetrazol-1-yl)ethyl]-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 164520265) has the molecular formula C21H16ClF2N9O and a molecular weight of 483.87 g/mol. Its IUPAC name is cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[(1S)-1-(tetrazol-1-yl)ethyl]-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-[(1S)-1-(tetrazol-1-yl)ethyl]-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
• PubChem CID: 164520265
• Molecular Formula: C21H16ClF2N9O
• Molecular Weight: 483.87 g/mol
• Exact Mass: 483.11
• IUPAC Name: cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[(1S)-1-(tetrazol-1-yl)ethyl]-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
• SMILES: C[C@@H](c1c(F)c(Cl)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)cn3c2)c2cn[nH]c12)n1cnnn1
• InChI: InChI=1S/C21H16ClF2N9O/c1-9(33-8-26-30-31-33)16-19(24)18(22)17(12-5-25-29-20(12)16)10-2-3-15-27-14(7-32(15)6-10)28-21(34)11-4-13(11)23/h2-3,5-9,11,13H,4H2,1H3,(H,25,29)(H,28,34)/t9-,11+,13-/m0/s1
• InChIKey: VUXNJCFAGHRLTM-NDMJEZRESA-N
• XLogP: 3.56
• TPSA: 118.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.87
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[(1S)-1-(tetrazol-1-yl)ethyl]-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-[(1S)-1-(tetrazol-1-yl)ethyl]-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 164520265) is cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[(1S)-1-(tetrazol-1-yl)ethyl]-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-[(1S)-1-(tetrazol-1-yl)ethyl]-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-[(1S)-1-(tetrazol-1-yl)ethyl]-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is C[C@@H](c1c(F)c(Cl)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)cn3c2)c2cn[nH]c12)n1cnnn1.

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

The InChIKey is VUXNJCFAGHRLTM-NDMJEZRESA-N. The full InChI is InChI=1S/C21H16ClF2N9O/c1-9(33-8-26-30-31-33)16-19(24)18(22)17(12-5-25-29-20(12)16)10-2-3-15-27-14(7-32(15)6-10)28-21(34)11-4-13(11)23/h2-3,5-9,11,13H,4H2,1H3,(H,25,29)(H,28,34)/t9-,11+,13-/m0/s1.

What are the key properties of cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[(1S)-1-(tetrazol-1-yl)ethyl]-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-[(1S)-1-(tetrazol-1-yl)ethyl]-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 483.87 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[(1S)-1-(tetrazol-1-yl)ethyl]-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 164520265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).