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

C22H20ClF2N7O2 — CID 163220863

IUPACcis-(1S,2S)-N-[6-[7-[1-[acetyl(methyl)amino]ethyl]-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCC(=O)N(C)C(C)c1c(F)c(Cl)c(-c2cn3cc(NC(=O)[C@@H]4C[C@@H]4F)nc3cn2)c2cn[nH]c12
InChIInChI=1S/C22H20ClF2N7O2/c1-9(31(3)10(2)33)17-20(25)19(23)18(12-5-27-30-21(12)17)14-7-32-8-15(28-16(32)6-26-14)29-22(34)11-4-13(11)24/h5-9,11,13H,4H2,1-3H3,(H,27,30)(H,29,34)/t9?,11-,13+/m1/s1
InChIKeyHLPLYGCEUDTOIV-WPLSFSDESA-N
MW487.90 g/mol
LogP3.90
Rot. Bonds5

About cis-(1S,2S)-N-[6-[7-[1-[acetyl(methyl)amino]ethyl]-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide

cis-(1S,2S)-N-[6-[7-[1-[acetyl(methyl)amino]ethyl]-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 163220863) has the molecular formula C22H20ClF2N7O2 and a molecular weight of 487.90 g/mol. Its IUPAC name is cis-(1S,2S)-N-[6-[7-[1-[acetyl(methyl)amino]ethyl]-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[6-[7-[1-[acetyl(methyl)amino]ethyl]-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID163220863
Molecular FormulaC22H20ClF2N7O2
Molecular Weight487.90 g/mol
Exact Mass487.13
IUPAC Namecis-(1S,2S)-N-[6-[7-[1-[acetyl(methyl)amino]ethyl]-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCC(=O)N(C)C(C)c1c(F)c(Cl)c(-c2cn3cc(NC(=O)[C@@H]4C[C@@H]4F)nc3cn2)c2cn[nH]c12
InChIInChI=1S/C22H20ClF2N7O2/c1-9(31(3)10(2)33)17-20(25)19(23)18(12-5-27-30-21(12)17)14-7-32-8-15(28-16(32)6-26-14)29-22(34)11-4-13(11)24/h5-9,11,13H,4H2,1-3H3,(H,27,30)(H,29,34)/t9?,11-,13+/m1/s1
InChIKeyHLPLYGCEUDTOIV-WPLSFSDESA-N
XLogP3.90
TPSA108.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.90
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze cis-(1S,2S)-N-[6-[7-[1-[acetyl(methyl)amino]ethyl]-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[6-[7-[1-[acetyl(methyl)amino]ethyl]-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-[6-[7-[1-[acetyl(methyl)amino]ethyl]-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 163220863) is cis-(1S,2S)-N-[6-[7-[1-[acetyl(methyl)amino]ethyl]-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-[6-[7-[1-[acetyl(methyl)amino]ethyl]-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-[6-[7-[1-[acetyl(methyl)amino]ethyl]-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is CC(=O)N(C)C(C)c1c(F)c(Cl)c(-c2cn3cc(NC(=O)[C@@H]4C[C@@H]4F)nc3cn2)c2cn[nH]c12.
What is the InChIKey of cis-(1S,2S)-N-[6-[7-[1-[acetyl(methyl)amino]ethyl]-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is HLPLYGCEUDTOIV-WPLSFSDESA-N. The full InChI is InChI=1S/C22H20ClF2N7O2/c1-9(31(3)10(2)33)17-20(25)19(23)18(12-5-27-30-21(12)17)14-7-32-8-15(28-16(32)6-26-14)29-22(34)11-4-13(11)24/h5-9,11,13H,4H2,1-3H3,(H,27,30)(H,29,34)/t9?,11-,13+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[6-[7-[1-[acetyl(methyl)amino]ethyl]-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[6-[7-[1-[acetyl(methyl)amino]ethyl]-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 487.90 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[6-[7-[1-[acetyl(methyl)amino]ethyl]-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 163220863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).