methyl 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylimidazo[1,2-a]pyridine-8-carboxylate

C21H19FN4O2 — CID 146501280

IUPACmethyl 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylimidazo[1,2-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cc(Cc2ccc(-c3cnn(C)c3)cc2F)c(C)n2ccnc12
InChIInChI=1S/C21H19FN4O2/c1-13-16(9-18(21(27)28-3)20-23-6-7-26(13)20)8-15-5-4-14(10-19(15)22)17-11-24-25(2)12-17/h4-7,9-12H,8H2,1-3H3
InChIKeyGPIOFNRXLZBMPP-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.56
Rot. Bonds4

About methyl 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylimidazo[1,2-a]pyridine-8-carboxylate

methyl 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylimidazo[1,2-a]pyridine-8-carboxylate (PubChem CID 146501280) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is methyl 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylimidazo[1,2-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylimidazo[1,2-a]pyridine-8-carboxylate
PubChem CID146501280
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Namemethyl 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylimidazo[1,2-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cc(Cc2ccc(-c3cnn(C)c3)cc2F)c(C)n2ccnc12
InChIInChI=1S/C21H19FN4O2/c1-13-16(9-18(21(27)28-3)20-23-6-7-26(13)20)8-15-5-4-14(10-19(15)22)17-11-24-25(2)12-17/h4-7,9-12H,8H2,1-3H3
InChIKeyGPIOFNRXLZBMPP-UHFFFAOYSA-N
XLogP3.56
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylimidazo[1,2-a]pyridine-8-carboxylate with MolForge

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Related Compounds

methyl 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoate
CID 118045392
2-fluoro-5-(1-methylpyrazol-4-yl)benzoic acid
CID 39826399
methyl 2-chloro-4-iodobenzoate;methyl 2-chloro-4-(1-methylpyrazol-4-yl)benzoate
CID 158275466
ethyl 2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]acetate
CID 139561792
2-fluoro-N-methyl-4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 71084294
1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;hydrochloride
CID 121452338
ethyl 7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxylate
CID 130229964
6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrido[3,4-b]pyrazine-8-carboxamide
CID 162772267
6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-oxo-1,6-naphthyridine-8-carboxamide
CID 162772163
1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-pyridin-3-ylindole-3-carboxamide
CID 71656354
5-fluoro-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2-methoxybenzamide
CID 171803712
methyl 5-amino-6-chloroimidazo[1,2-a]pyridine-8-carboxylate
CID 22313263

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylimidazo[1,2-a]pyridine-8-carboxylate?
The IUPAC name of methyl 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylimidazo[1,2-a]pyridine-8-carboxylate (CID 146501280) is methyl 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylimidazo[1,2-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylimidazo[1,2-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylimidazo[1,2-a]pyridine-8-carboxylate is COC(=O)c1cc(Cc2ccc(-c3cnn(C)c3)cc2F)c(C)n2ccnc12.
What is the InChIKey of methyl 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylimidazo[1,2-a]pyridine-8-carboxylate?
The InChIKey is GPIOFNRXLZBMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-13-16(9-18(21(27)28-3)20-23-6-7-26(13)20)8-15-5-4-14(10-19(15)22)17-11-24-25(2)12-17/h4-7,9-12H,8H2,1-3H3.
What are the key properties of methyl 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylimidazo[1,2-a]pyridine-8-carboxylate?
methyl 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylimidazo[1,2-a]pyridine-8-carboxylate has a molecular weight of 378.41 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylimidazo[1,2-a]pyridine-8-carboxylate is sourced from PubChem (CID 146501280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).