potassium;5-chloro-6-fluoro-4-[2-[methyl(oxido)amino]imidazo[1,2-a]pyridin-6-yl]-1H-indazole-7-carboxamide;cyclopropane

C19H17ClFKN6O2 — CID 163221281

IUPACpotassium;5-chloro-6-fluoro-4-[2-[methyl(oxido)amino]imidazo[1,2-a]pyridin-6-yl]-1H-indazole-7-carboxamide;cyclopropane
SMILESC1CC1.CN([O-])c1cn2cc(-c3c(Cl)c(F)c(C(N)=O)c4[nH]ncc34)ccc2n1.[K+]
InChIInChI=1S/C16H11ClFN6O2.C3H6.K/c1-23(26)10-6-24-5-7(2-3-9(24)21-10)11-8-4-20-22-15(8)12(16(19)25)14(18)13(11)17;1-2-3-1;/h2-6H,1H3,(H2,19,25)(H,20,22);1-3H2;/q-1;;+1
InChIKeyVKKIKMVBNSWGIB-UHFFFAOYSA-N
MW454.93 g/mol
LogP0.88
Rot. Bonds3

About potassium;5-chloro-6-fluoro-4-[2-[methyl(oxido)amino]imidazo[1,2-a]pyridin-6-yl]-1H-indazole-7-carboxamide;cyclopropane

potassium;5-chloro-6-fluoro-4-[2-[methyl(oxido)amino]imidazo[1,2-a]pyridin-6-yl]-1H-indazole-7-carboxamide;cyclopropane (PubChem CID 163221281) has the molecular formula C19H17ClFKN6O2 and a molecular weight of 454.93 g/mol. Its IUPAC name is potassium;5-chloro-6-fluoro-4-[2-[methyl(oxido)amino]imidazo[1,2-a]pyridin-6-yl]-1H-indazole-7-carboxamide;cyclopropane.

Molecular Properties

Compound Namepotassium;5-chloro-6-fluoro-4-[2-[methyl(oxido)amino]imidazo[1,2-a]pyridin-6-yl]-1H-indazole-7-carboxamide;cyclopropane
PubChem CID163221281
Molecular FormulaC19H17ClFKN6O2
Molecular Weight454.93 g/mol
Exact Mass454.07
IUPAC Namepotassium;5-chloro-6-fluoro-4-[2-[methyl(oxido)amino]imidazo[1,2-a]pyridin-6-yl]-1H-indazole-7-carboxamide;cyclopropane
SMILESC1CC1.CN([O-])c1cn2cc(-c3c(Cl)c(F)c(C(N)=O)c4[nH]ncc34)ccc2n1.[K+]
InChIInChI=1S/C16H11ClFN6O2.C3H6.K/c1-23(26)10-6-24-5-7(2-3-9(24)21-10)11-8-4-20-22-15(8)12(16(19)25)14(18)13(11)17;1-2-3-1;/h2-6H,1H3,(H2,19,25)(H,20,22);1-3H2;/q-1;;+1
InChIKeyVKKIKMVBNSWGIB-UHFFFAOYSA-N
XLogP0.88
TPSA115.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.93
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(2-aminoimidazo[1,2-a]pyridin-6-yl)-5-chloro-6-fluoro-1H-indazole-7-carboxylate
CID 163221409
5-chloro-6-fluoro-7-methyl-4-(2-methylimidazo[1,2-a]pyridin-6-yl)-1H-indazole
CID 163221063
5-chloro-6-fluoro-N,N-dimethyl-4-[2-(methylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indazol-7-amine
CID 163221163
cis-(1S,2S)-N-[6-[5-chloro-7-[ethyl(methyl)amino]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164520275
N-[6-[5-chloro-6-fluoro-7-(fluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164718070
cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1-hydroxyethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164520285
N-[6-[5-chloro-6-fluoro-7-(2-hydroxypropan-2-yl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide
CID 163221360
N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide
CID 163221228
cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1-methylpyrrol-3-yl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164718110
cis-(1S,2S)-N-[6-(5-chloro-7-cyclopropyloxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164520432
N-[6-(5-chloro-7-cyclopropyloxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164718124
cis-(1S,2S)-N-[6-[5-chloro-7-(1-cyclopropylethylamino)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164718300

Frequently Asked Questions

What is the IUPAC name of potassium;5-chloro-6-fluoro-4-[2-[methyl(oxido)amino]imidazo[1,2-a]pyridin-6-yl]-1H-indazole-7-carboxamide;cyclopropane?
The IUPAC name of potassium;5-chloro-6-fluoro-4-[2-[methyl(oxido)amino]imidazo[1,2-a]pyridin-6-yl]-1H-indazole-7-carboxamide;cyclopropane (CID 163221281) is potassium;5-chloro-6-fluoro-4-[2-[methyl(oxido)amino]imidazo[1,2-a]pyridin-6-yl]-1H-indazole-7-carboxamide;cyclopropane.
What is the SMILES notation for potassium;5-chloro-6-fluoro-4-[2-[methyl(oxido)amino]imidazo[1,2-a]pyridin-6-yl]-1H-indazole-7-carboxamide;cyclopropane?
The canonical SMILES for potassium;5-chloro-6-fluoro-4-[2-[methyl(oxido)amino]imidazo[1,2-a]pyridin-6-yl]-1H-indazole-7-carboxamide;cyclopropane is C1CC1.CN([O-])c1cn2cc(-c3c(Cl)c(F)c(C(N)=O)c4[nH]ncc34)ccc2n1.[K+].
What is the InChIKey of potassium;5-chloro-6-fluoro-4-[2-[methyl(oxido)amino]imidazo[1,2-a]pyridin-6-yl]-1H-indazole-7-carboxamide;cyclopropane?
The InChIKey is VKKIKMVBNSWGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN6O2.C3H6.K/c1-23(26)10-6-24-5-7(2-3-9(24)21-10)11-8-4-20-22-15(8)12(16(19)25)14(18)13(11)17;1-2-3-1;/h2-6H,1H3,(H2,19,25)(H,20,22);1-3H2;/q-1;;+1.
What are the key properties of potassium;5-chloro-6-fluoro-4-[2-[methyl(oxido)amino]imidazo[1,2-a]pyridin-6-yl]-1H-indazole-7-carboxamide;cyclopropane?
potassium;5-chloro-6-fluoro-4-[2-[methyl(oxido)amino]imidazo[1,2-a]pyridin-6-yl]-1H-indazole-7-carboxamide;cyclopropane has a molecular weight of 454.93 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;5-chloro-6-fluoro-4-[2-[methyl(oxido)amino]imidazo[1,2-a]pyridin-6-yl]-1H-indazole-7-carboxamide;cyclopropane is sourced from PubChem (CID 163221281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).