methyl 4-(2-aminoimidazo[1,2-a]pyridin-6-yl)-5-chloro-6-fluoro-1H-indazole-7-carboxylate

C16H11ClFN5O2 — CID 163221409

IUPACmethyl 4-(2-aminoimidazo[1,2-a]pyridin-6-yl)-5-chloro-6-fluoro-1H-indazole-7-carboxylate
SMILESCOC(=O)c1c(F)c(Cl)c(-c2ccc3nc(N)cn3c2)c2cn[nH]c12
InChIInChI=1S/C16H11ClFN5O2/c1-25-16(24)12-14(18)13(17)11(8-4-20-22-15(8)12)7-2-3-10-21-9(19)6-23(10)5-7/h2-6H,19H2,1H3,(H,20,22)
InChIKeyBFLFZGOKUBFWRQ-UHFFFAOYSA-N
MW359.75 g/mol
LogP3.04
Rot. Bonds2

About methyl 4-(2-aminoimidazo[1,2-a]pyridin-6-yl)-5-chloro-6-fluoro-1H-indazole-7-carboxylate

methyl 4-(2-aminoimidazo[1,2-a]pyridin-6-yl)-5-chloro-6-fluoro-1H-indazole-7-carboxylate (PubChem CID 163221409) has the molecular formula C16H11ClFN5O2 and a molecular weight of 359.75 g/mol. Its IUPAC name is methyl 4-(2-aminoimidazo[1,2-a]pyridin-6-yl)-5-chloro-6-fluoro-1H-indazole-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-aminoimidazo[1,2-a]pyridin-6-yl)-5-chloro-6-fluoro-1H-indazole-7-carboxylate
PubChem CID163221409
Molecular FormulaC16H11ClFN5O2
Molecular Weight359.75 g/mol
Exact Mass359.06
IUPAC Namemethyl 4-(2-aminoimidazo[1,2-a]pyridin-6-yl)-5-chloro-6-fluoro-1H-indazole-7-carboxylate
SMILESCOC(=O)c1c(F)c(Cl)c(-c2ccc3nc(N)cn3c2)c2cn[nH]c12
InChIInChI=1S/C16H11ClFN5O2/c1-25-16(24)12-14(18)13(17)11(8-4-20-22-15(8)12)7-2-3-10-21-9(19)6-23(10)5-7/h2-6H,19H2,1H3,(H,20,22)
InChIKeyBFLFZGOKUBFWRQ-UHFFFAOYSA-N
XLogP3.04
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.75
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-(2-aminoimidazo[1,2-a]pyridin-6-yl)-5-chloro-6-fluoro-1H-indazole-7-carboxylate with MolForge

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Related Compounds

potassium;5-chloro-6-fluoro-4-[2-[methyl(oxido)amino]imidazo[1,2-a]pyridin-6-yl]-1H-indazole-7-carboxamide;cyclopropane
CID 163221281
5-chloro-6-fluoro-7-methyl-4-(2-methylimidazo[1,2-a]pyridin-6-yl)-1H-indazole
CID 163221063
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
5-chloro-6-fluoro-N,N-dimethyl-4-[2-(methylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indazol-7-amine
CID 163221163
N-[6-[5-chloro-6-fluoro-7-(1-methoxypropyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide
CID 163220935
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-(fluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164718070
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-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-(ethoxymethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide
CID 163221020
N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]formamide
CID 163221228
5-chloro-6-fluoro-4-imidazo[1,2-a]pyridin-6-yl-7-propan-2-yl-1H-indazole
CID 175746767

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-aminoimidazo[1,2-a]pyridin-6-yl)-5-chloro-6-fluoro-1H-indazole-7-carboxylate?
The IUPAC name of methyl 4-(2-aminoimidazo[1,2-a]pyridin-6-yl)-5-chloro-6-fluoro-1H-indazole-7-carboxylate (CID 163221409) is methyl 4-(2-aminoimidazo[1,2-a]pyridin-6-yl)-5-chloro-6-fluoro-1H-indazole-7-carboxylate.
What is the SMILES notation for methyl 4-(2-aminoimidazo[1,2-a]pyridin-6-yl)-5-chloro-6-fluoro-1H-indazole-7-carboxylate?
The canonical SMILES for methyl 4-(2-aminoimidazo[1,2-a]pyridin-6-yl)-5-chloro-6-fluoro-1H-indazole-7-carboxylate is COC(=O)c1c(F)c(Cl)c(-c2ccc3nc(N)cn3c2)c2cn[nH]c12.
What is the InChIKey of methyl 4-(2-aminoimidazo[1,2-a]pyridin-6-yl)-5-chloro-6-fluoro-1H-indazole-7-carboxylate?
The InChIKey is BFLFZGOKUBFWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN5O2/c1-25-16(24)12-14(18)13(17)11(8-4-20-22-15(8)12)7-2-3-10-21-9(19)6-23(10)5-7/h2-6H,19H2,1H3,(H,20,22).
What are the key properties of methyl 4-(2-aminoimidazo[1,2-a]pyridin-6-yl)-5-chloro-6-fluoro-1H-indazole-7-carboxylate?
methyl 4-(2-aminoimidazo[1,2-a]pyridin-6-yl)-5-chloro-6-fluoro-1H-indazole-7-carboxylate has a molecular weight of 359.75 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-aminoimidazo[1,2-a]pyridin-6-yl)-5-chloro-6-fluoro-1H-indazole-7-carboxylate is sourced from PubChem (CID 163221409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).