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

C20H16ClF4N7O — CID 163220696

IUPACcis-(1S,2S)-N-[6-[5-chloro-7-(1,1-difluoropropan-2-ylamino)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCC(Nc1c(F)c(Cl)c(-c2cn3cc(NC(=O)[C@@H]4C[C@@H]4F)nc3cn2)c2cn[nH]c12)C(F)F
InChIInChI=1S/C20H16ClF4N7O/c1-7(19(24)25)28-18-16(23)15(21)14(9-3-27-31-17(9)18)11-5-32-6-12(29-13(32)4-26-11)30-20(33)8-2-10(8)22/h3-8,10,19,28H,2H2,1H3,(H,27,31)(H,30,33)/t7?,8-,10+/m1/s1
InChIKeyVFQYFIOMHFUGIH-VWHDNNRLSA-N
MW481.84 g/mol
LogP4.43
Rot. Bonds6

About cis-(1S,2S)-N-[6-[5-chloro-7-(1,1-difluoropropan-2-ylamino)-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-(1,1-difluoropropan-2-ylamino)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 163220696) has the molecular formula C20H16ClF4N7O and a molecular weight of 481.84 g/mol. Its IUPAC name is cis-(1S,2S)-N-[6-[5-chloro-7-(1,1-difluoropropan-2-ylamino)-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-(1,1-difluoropropan-2-ylamino)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID163220696
Molecular FormulaC20H16ClF4N7O
Molecular Weight481.84 g/mol
Exact Mass481.10
IUPAC Namecis-(1S,2S)-N-[6-[5-chloro-7-(1,1-difluoropropan-2-ylamino)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCC(Nc1c(F)c(Cl)c(-c2cn3cc(NC(=O)[C@@H]4C[C@@H]4F)nc3cn2)c2cn[nH]c12)C(F)F
InChIInChI=1S/C20H16ClF4N7O/c1-7(19(24)25)28-18-16(23)15(21)14(9-3-27-31-17(9)18)11-5-32-6-12(29-13(32)4-26-11)30-20(33)8-2-10(8)22/h3-8,10,19,28H,2H2,1H3,(H,27,31)(H,30,33)/t7?,8-,10+/m1/s1
InChIKeyVFQYFIOMHFUGIH-VWHDNNRLSA-N
XLogP4.43
TPSA100.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.84
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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-(methylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164520650
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-(1-hydroxypropan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide;formic acid
CID 165076763
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
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
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-[(1R)-1-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 176792891
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
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-6-fluoro-7-prop-1-ynyl-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164520473

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[6-[5-chloro-7-(1,1-difluoropropan-2-ylamino)-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-(1,1-difluoropropan-2-ylamino)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 163220696) is cis-(1S,2S)-N-[6-[5-chloro-7-(1,1-difluoropropan-2-ylamino)-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-(1,1-difluoropropan-2-ylamino)-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-(1,1-difluoropropan-2-ylamino)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is CC(Nc1c(F)c(Cl)c(-c2cn3cc(NC(=O)[C@@H]4C[C@@H]4F)nc3cn2)c2cn[nH]c12)C(F)F.
What is the InChIKey of cis-(1S,2S)-N-[6-[5-chloro-7-(1,1-difluoropropan-2-ylamino)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is VFQYFIOMHFUGIH-VWHDNNRLSA-N. The full InChI is InChI=1S/C20H16ClF4N7O/c1-7(19(24)25)28-18-16(23)15(21)14(9-3-27-31-17(9)18)11-5-32-6-12(29-13(32)4-26-11)30-20(33)8-2-10(8)22/h3-8,10,19,28H,2H2,1H3,(H,27,31)(H,30,33)/t7?,8-,10+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[6-[5-chloro-7-(1,1-difluoropropan-2-ylamino)-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-(1,1-difluoropropan-2-ylamino)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 481.84 g/mol, XLogP of 4.43, 6 rotatable bonds, 3 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-(1,1-difluoropropan-2-ylamino)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 163220696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).