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

C22H21ClF2N6O2 — CID 163220444

IUPACcis-(1S,2S)-N-[6-[5-chloro-7-(2-ethoxypropan-2-yl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCCOC(C)(C)c1c(F)c(Cl)c(-c2cn3cc(NC(=O)[C@@H]4C[C@@H]4F)nc3cn2)c2cn[nH]c12
InChIInChI=1S/C22H21ClF2N6O2/c1-4-33-22(2,3)17-19(25)18(23)16(11-6-27-30-20(11)17)13-8-31-9-14(28-15(31)7-26-13)29-21(32)10-5-12(10)24/h6-10,12H,4-5H2,1-3H3,(H,27,30)(H,29,32)/t10-,12+/m1/s1
InChIKeyVFLKNWRADGWRSG-PWSUYJOCSA-N
MW474.90 g/mol
LogP4.63
Rot. Bonds6

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

cis-(1S,2S)-N-[6-[5-chloro-7-(2-ethoxypropan-2-yl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 163220444) has the molecular formula C22H21ClF2N6O2 and a molecular weight of 474.90 g/mol. Its IUPAC name is cis-(1S,2S)-N-[6-[5-chloro-7-(2-ethoxypropan-2-yl)-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-[5-chloro-7-(2-ethoxypropan-2-yl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID163220444
Molecular FormulaC22H21ClF2N6O2
Molecular Weight474.90 g/mol
Exact Mass474.14
IUPAC Namecis-(1S,2S)-N-[6-[5-chloro-7-(2-ethoxypropan-2-yl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCCOC(C)(C)c1c(F)c(Cl)c(-c2cn3cc(NC(=O)[C@@H]4C[C@@H]4F)nc3cn2)c2cn[nH]c12
InChIInChI=1S/C22H21ClF2N6O2/c1-4-33-22(2,3)17-19(25)18(23)16(11-6-27-30-20(11)17)13-8-31-9-14(28-15(31)7-26-13)29-21(32)10-5-12(10)24/h6-10,12H,4-5H2,1-3H3,(H,27,30)(H,29,32)/t10-,12+/m1/s1
InChIKeyVFLKNWRADGWRSG-PWSUYJOCSA-N
XLogP4.63
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.90
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze cis-(1S,2S)-N-[6-[5-chloro-7-(2-ethoxypropan-2-yl)-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-[5-chloro-7-(2-ethoxypropan-2-yl)-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-[5-chloro-7-(2-ethoxypropan-2-yl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 163220444) is cis-(1S,2S)-N-[6-[5-chloro-7-(2-ethoxypropan-2-yl)-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-[5-chloro-7-(2-ethoxypropan-2-yl)-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-[5-chloro-7-(2-ethoxypropan-2-yl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is CCOC(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-[5-chloro-7-(2-ethoxypropan-2-yl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is VFLKNWRADGWRSG-PWSUYJOCSA-N. The full InChI is InChI=1S/C22H21ClF2N6O2/c1-4-33-22(2,3)17-19(25)18(23)16(11-6-27-30-20(11)17)13-8-31-9-14(28-15(31)7-26-13)29-21(32)10-5-12(10)24/h6-10,12H,4-5H2,1-3H3,(H,27,30)(H,29,32)/t10-,12+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[6-[5-chloro-7-(2-ethoxypropan-2-yl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[6-[5-chloro-7-(2-ethoxypropan-2-yl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 474.90 g/mol, XLogP of 4.63, 6 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-[5-chloro-7-(2-ethoxypropan-2-yl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 163220444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).