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

C22H17ClF2N6O2 — CID 164520498

IUPACcis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(3-hydroxycyclopenten-1-yl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESO=C(Nc1cn2cc(-c3c(Cl)c(F)c(C4=CC(O)CC4)c4[nH]ncc34)ncc2n1)[C@@H]1C[C@@H]1F
InChIInChI=1S/C22H17ClF2N6O2/c23-19-18(12-5-27-30-21(12)17(20(19)25)9-1-2-10(32)3-9)14-7-31-8-15(28-16(31)6-26-14)29-22(33)11-4-13(11)24/h3,5-8,10-11,13,32H,1-2,4H2,(H,27,30)(H,29,33)/t10?,11-,13+/m1/s1
InChIKeyYYADGKKJFLWCEE-ZNVNOEFISA-N
MW470.87 g/mol
LogP3.90
Rot. Bonds4

About cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(3-hydroxycyclopenten-1-yl)-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-(3-hydroxycyclopenten-1-yl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 164520498) has the molecular formula C22H17ClF2N6O2 and a molecular weight of 470.87 g/mol. Its IUPAC name is cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(3-hydroxycyclopenten-1-yl)-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-(3-hydroxycyclopenten-1-yl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID164520498
Molecular FormulaC22H17ClF2N6O2
Molecular Weight470.87 g/mol
Exact Mass470.11
IUPAC Namecis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(3-hydroxycyclopenten-1-yl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESO=C(Nc1cn2cc(-c3c(Cl)c(F)c(C4=CC(O)CC4)c4[nH]ncc34)ncc2n1)[C@@H]1C[C@@H]1F
InChIInChI=1S/C22H17ClF2N6O2/c23-19-18(12-5-27-30-21(12)17(20(19)25)9-1-2-10(32)3-9)14-7-31-8-15(28-16(31)6-26-14)29-22(33)11-4-13(11)24/h3,5-8,10-11,13,32H,1-2,4H2,(H,27,30)(H,29,33)/t10?,11-,13+/m1/s1
InChIKeyYYADGKKJFLWCEE-ZNVNOEFISA-N
XLogP3.90
TPSA108.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.87
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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
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-(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-(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-7-[cyano-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]methyl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164520692
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-[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-[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-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
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

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(3-hydroxycyclopenten-1-yl)-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-(3-hydroxycyclopenten-1-yl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 164520498) is cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(3-hydroxycyclopenten-1-yl)-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-(3-hydroxycyclopenten-1-yl)-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-(3-hydroxycyclopenten-1-yl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is O=C(Nc1cn2cc(-c3c(Cl)c(F)c(C4=CC(O)CC4)c4[nH]ncc34)ncc2n1)[C@@H]1C[C@@H]1F.
What is the InChIKey of cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(3-hydroxycyclopenten-1-yl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is YYADGKKJFLWCEE-ZNVNOEFISA-N. The full InChI is InChI=1S/C22H17ClF2N6O2/c23-19-18(12-5-27-30-21(12)17(20(19)25)9-1-2-10(32)3-9)14-7-31-8-15(28-16(31)6-26-14)29-22(33)11-4-13(11)24/h3,5-8,10-11,13,32H,1-2,4H2,(H,27,30)(H,29,33)/t10?,11-,13+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(3-hydroxycyclopenten-1-yl)-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-(3-hydroxycyclopenten-1-yl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 470.87 g/mol, XLogP of 3.90, 4 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-6-fluoro-7-(3-hydroxycyclopenten-1-yl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 164520498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).