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

C22H17ClF2N8O — CID 164520562

IUPACcis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[(4-methylpyrazol-1-yl)methyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCc1cnn(Cc2c(F)c(Cl)c(-c3cn4cc(NC(=O)[C@@H]5C[C@@H]5F)nc4cn3)c3cn[nH]c23)c1
InChIInChI=1S/C22H17ClF2N8O/c1-10-3-28-33(6-10)7-13-20(25)19(23)18(12-4-27-31-21(12)13)15-8-32-9-16(29-17(32)5-26-15)30-22(34)11-2-14(11)24/h3-6,8-9,11,14H,2,7H2,1H3,(H,27,31)(H,30,34)/t11-,14+/m1/s1
InChIKeyNZCMKEZXZFGODE-RISCZKNCSA-N
MW482.88 g/mol
LogP3.91
Rot. Bonds5

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

cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[(4-methylpyrazol-1-yl)methyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 164520562) has the molecular formula C22H17ClF2N8O and a molecular weight of 482.88 g/mol. Its IUPAC name is cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[(4-methylpyrazol-1-yl)methyl]-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-6-fluoro-7-[(4-methylpyrazol-1-yl)methyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID164520562
Molecular FormulaC22H17ClF2N8O
Molecular Weight482.88 g/mol
Exact Mass482.12
IUPAC Namecis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[(4-methylpyrazol-1-yl)methyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCc1cnn(Cc2c(F)c(Cl)c(-c3cn4cc(NC(=O)[C@@H]5C[C@@H]5F)nc4cn3)c3cn[nH]c23)c1
InChIInChI=1S/C22H17ClF2N8O/c1-10-3-28-33(6-10)7-13-20(25)19(23)18(12-4-27-31-21(12)13)15-8-32-9-16(29-17(32)5-26-15)30-22(34)11-2-14(11)24/h3-6,8-9,11,14H,2,7H2,1H3,(H,27,31)(H,30,34)/t11-,14+/m1/s1
InChIKeyNZCMKEZXZFGODE-RISCZKNCSA-N
XLogP3.91
TPSA105.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.88
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
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-(prop-2-ynylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164717885
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
N-[6-(6,7-difluoro-5-methyl-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164717793
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-[5-chloro-7-(1-cyano-3-oxobutyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 165077138

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[(4-methylpyrazol-1-yl)methyl]-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-6-fluoro-7-[(4-methylpyrazol-1-yl)methyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 164520562) is cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[(4-methylpyrazol-1-yl)methyl]-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-6-fluoro-7-[(4-methylpyrazol-1-yl)methyl]-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-6-fluoro-7-[(4-methylpyrazol-1-yl)methyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is Cc1cnn(Cc2c(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-6-fluoro-7-[(4-methylpyrazol-1-yl)methyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is NZCMKEZXZFGODE-RISCZKNCSA-N. The full InChI is InChI=1S/C22H17ClF2N8O/c1-10-3-28-33(6-10)7-13-20(25)19(23)18(12-4-27-31-21(12)13)15-8-32-9-16(29-17(32)5-26-15)30-22(34)11-2-14(11)24/h3-6,8-9,11,14H,2,7H2,1H3,(H,27,31)(H,30,34)/t11-,14+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[(4-methylpyrazol-1-yl)methyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[(4-methylpyrazol-1-yl)methyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 482.88 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[(4-methylpyrazol-1-yl)methyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 164520562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).