cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1-methylpyrrol-3-yl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

C23H17ClF2N6O — CID 164718110

About cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1-methylpyrrol-3-yl)-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-methylpyrrol-3-yl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 164718110) has the molecular formula C23H17ClF2N6O and a molecular weight of 466.88 g/mol. Its IUPAC name is cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1-methylpyrrol-3-yl)-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-methylpyrrol-3-yl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
• PubChem CID: 164718110
• Molecular Formula: C23H17ClF2N6O
• Molecular Weight: 466.88 g/mol
• Exact Mass: 466.11
• IUPAC Name: cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1-methylpyrrol-3-yl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
• SMILES: Cn1ccc(-c2c(F)c(Cl)c(-c3ccc4nc(NC(=O)[C@@H]5C[C@@H]5F)cn4c3)c3cn[nH]c23)c1
• InChI: InChI=1S/C23H17ClF2N6O/c1-31-5-4-12(8-31)19-21(26)20(24)18(14-7-27-30-22(14)19)11-2-3-17-28-16(10-32(17)9-11)29-23(33)13-6-15(13)25/h2-5,7-10,13,15H,6H2,1H3,(H,27,30)(H,29,33)/t13-,15+/m1/s1
• InChIKey: USKKKHJLZIUWPC-HIFRSBDPSA-N
• XLogP: 4.97
• TPSA: 80.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.88
LogP ≤ 5	4.97
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-6-fluoro-7-(1-methylpyrrol-3-yl)-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-methylpyrrol-3-yl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 164718110) is cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1-methylpyrrol-3-yl)-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-methylpyrrol-3-yl)-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-methylpyrrol-3-yl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is Cn1ccc(-c2c(F)c(Cl)c(-c3ccc4nc(NC(=O)[C@@H]5C[C@@H]5F)cn4c3)c3cn[nH]c23)c1.

What is the InChIKey of cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1-methylpyrrol-3-yl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?

The InChIKey is USKKKHJLZIUWPC-HIFRSBDPSA-N. The full InChI is InChI=1S/C23H17ClF2N6O/c1-31-5-4-12(8-31)19-21(26)20(24)18(14-7-27-30-22(14)19)11-2-3-17-28-16(10-32(17)9-11)29-23(33)13-6-15(13)25/h2-5,7-10,13,15H,6H2,1H3,(H,27,30)(H,29,33)/t13-,15+/m1/s1.

What are the key properties of cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1-methylpyrrol-3-yl)-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-methylpyrrol-3-yl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 466.88 g/mol, XLogP of 4.97, 4 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-6-fluoro-7-(1-methylpyrrol-3-yl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 164718110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).