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

C22H20ClF2N7O — CID 163220672

IUPACcis-(1S,2S)-N-[6-[5-chloro-7-(3,3-dimethylazetidin-1-yl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCC1(C)CN(c2c(F)c(Cl)c(-c3cn4cc(NC(=O)[C@@H]5C[C@@H]5F)nc4cn3)c3cn[nH]c23)C1
InChIInChI=1S/C22H20ClF2N7O/c1-22(2)8-32(9-22)20-18(25)17(23)16(11-4-27-30-19(11)20)13-6-31-7-14(28-15(31)5-26-13)29-21(33)10-3-12(10)24/h4-7,10,12H,3,8-9H2,1-2H3,(H,27,30)(H,29,33)/t10-,12+/m1/s1
InChIKeyMOEJCLCFWYJYIN-PWSUYJOCSA-N
MW471.90 g/mol
LogP4.21
Rot. Bonds4

About cis-(1S,2S)-N-[6-[5-chloro-7-(3,3-dimethylazetidin-1-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-(3,3-dimethylazetidin-1-yl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 163220672) has the molecular formula C22H20ClF2N7O and a molecular weight of 471.90 g/mol. Its IUPAC name is cis-(1S,2S)-N-[6-[5-chloro-7-(3,3-dimethylazetidin-1-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-(3,3-dimethylazetidin-1-yl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID163220672
Molecular FormulaC22H20ClF2N7O
Molecular Weight471.90 g/mol
Exact Mass471.14
IUPAC Namecis-(1S,2S)-N-[6-[5-chloro-7-(3,3-dimethylazetidin-1-yl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCC1(C)CN(c2c(F)c(Cl)c(-c3cn4cc(NC(=O)[C@@H]5C[C@@H]5F)nc4cn3)c3cn[nH]c23)C1
InChIInChI=1S/C22H20ClF2N7O/c1-22(2)8-32(9-22)20-18(25)17(23)16(11-4-27-30-19(11)20)13-6-31-7-14(28-15(31)5-26-13)29-21(33)10-3-12(10)24/h4-7,10,12H,3,8-9H2,1-2H3,(H,27,30)(H,29,33)/t10-,12+/m1/s1
InChIKeyMOEJCLCFWYJYIN-PWSUYJOCSA-N
XLogP4.21
TPSA91.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.90
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze cis-(1S,2S)-N-[6-[5-chloro-7-(3,3-dimethylazetidin-1-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

Related Compounds

N-[6-[5-chloro-7-(3,3-difluoroazetidin-1-yl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164717938
cis-(1S,2S)-N-[6-[7-(1-aminoethyl)-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 163220631
cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(methylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164520650
cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[methyl(methylcarbamoyl)amino]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164520551
N-[6-[5-chloro-6-fluoro-7-(3-methylbut-2-en-2-yl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164717782
cis-(1S,2S)-N-[6-(5-chloro-6-fluoro-7-prop-1-ynyl-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164520473
N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164717942
cis-(1R,2R)-N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 163220732
N-[1-[5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-a]pyrazin-6-yl]-1H-indazol-7-yl]ethyl]cyclobutanecarboxamide
CID 164520645
cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(2,2,2-trifluoro-1-methoxyethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164520475
N-[6-[5-chloro-6-fluoro-7-[(1S)-1-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 176792855
N-[6-[5-chloro-6-fluoro-7-(prop-2-ynylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164717885

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[6-[5-chloro-7-(3,3-dimethylazetidin-1-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-(3,3-dimethylazetidin-1-yl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 163220672) is cis-(1S,2S)-N-[6-[5-chloro-7-(3,3-dimethylazetidin-1-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-(3,3-dimethylazetidin-1-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-(3,3-dimethylazetidin-1-yl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is CC1(C)CN(c2c(F)c(Cl)c(-c3cn4cc(NC(=O)[C@@H]5C[C@@H]5F)nc4cn3)c3cn[nH]c23)C1.
What is the InChIKey of cis-(1S,2S)-N-[6-[5-chloro-7-(3,3-dimethylazetidin-1-yl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is MOEJCLCFWYJYIN-PWSUYJOCSA-N. The full InChI is InChI=1S/C22H20ClF2N7O/c1-22(2)8-32(9-22)20-18(25)17(23)16(11-4-27-30-19(11)20)13-6-31-7-14(28-15(31)5-26-13)29-21(33)10-3-12(10)24/h4-7,10,12H,3,8-9H2,1-2H3,(H,27,30)(H,29,33)/t10-,12+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[6-[5-chloro-7-(3,3-dimethylazetidin-1-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-(3,3-dimethylazetidin-1-yl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 471.90 g/mol, XLogP of 4.21, 4 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-(3,3-dimethylazetidin-1-yl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 163220672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).