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

C18H16FN5O2 — CID 167002464

IUPACmethyl 6-fluoro-5-methyl-4-[2-(methylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indazole-7-carboxylate
SMILESCNc1cn2cc(-c3c(C)c(F)c(C(=O)OC)c4[nH]ncc34)ccc2n1
InChIInChI=1S/C18H16FN5O2/c1-9-14(10-4-5-13-22-12(20-2)8-24(13)7-10)11-6-21-23-17(11)15(16(9)19)18(25)26-3/h4-8,20H,1-3H3,(H,21,23)
InChIKeyVGCWPHWPTIIIAK-UHFFFAOYSA-N
MW353.36 g/mol
LogP3.15
Rot. Bonds3

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

methyl 6-fluoro-5-methyl-4-[2-(methylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indazole-7-carboxylate (PubChem CID 167002464) has the molecular formula C18H16FN5O2 and a molecular weight of 353.36 g/mol. Its IUPAC name is methyl 6-fluoro-5-methyl-4-[2-(methylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indazole-7-carboxylate.

Molecular Properties

Compound Namemethyl 6-fluoro-5-methyl-4-[2-(methylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indazole-7-carboxylate
PubChem CID167002464
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC Namemethyl 6-fluoro-5-methyl-4-[2-(methylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indazole-7-carboxylate
SMILESCNc1cn2cc(-c3c(C)c(F)c(C(=O)OC)c4[nH]ncc34)ccc2n1
InChIInChI=1S/C18H16FN5O2/c1-9-14(10-4-5-13-22-12(20-2)8-24(13)7-10)11-6-21-23-17(11)15(16(9)19)18(25)26-3/h4-8,20H,1-3H3,(H,21,23)
InChIKeyVGCWPHWPTIIIAK-UHFFFAOYSA-N
XLogP3.15
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoro-5-methyl-4-[2-(methylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indazole-7-carboxylate?
The IUPAC name of methyl 6-fluoro-5-methyl-4-[2-(methylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indazole-7-carboxylate (CID 167002464) is methyl 6-fluoro-5-methyl-4-[2-(methylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indazole-7-carboxylate.
What is the SMILES notation for methyl 6-fluoro-5-methyl-4-[2-(methylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indazole-7-carboxylate?
The canonical SMILES for methyl 6-fluoro-5-methyl-4-[2-(methylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indazole-7-carboxylate is CNc1cn2cc(-c3c(C)c(F)c(C(=O)OC)c4[nH]ncc34)ccc2n1.
What is the InChIKey of methyl 6-fluoro-5-methyl-4-[2-(methylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indazole-7-carboxylate?
The InChIKey is VGCWPHWPTIIIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2/c1-9-14(10-4-5-13-22-12(20-2)8-24(13)7-10)11-6-21-23-17(11)15(16(9)19)18(25)26-3/h4-8,20H,1-3H3,(H,21,23).
What are the key properties of methyl 6-fluoro-5-methyl-4-[2-(methylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indazole-7-carboxylate?
methyl 6-fluoro-5-methyl-4-[2-(methylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indazole-7-carboxylate has a molecular weight of 353.36 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-fluoro-5-methyl-4-[2-(methylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indazole-7-carboxylate is sourced from PubChem (CID 167002464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).