4-[6-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylic acid

C16H19FN6O3 — CID 67154099

IUPAC4-[6-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylic acid
SMILESCc1c(OC2CCN(C(=O)O)CC2F)ncnc1N1CCn2nccc21
InChIInChI=1S/C16H19FN6O3/c1-10-14(22-6-7-23-13(22)2-4-20-23)18-9-19-15(10)26-12-3-5-21(16(24)25)8-11(12)17/h2,4,9,11-12H,3,5-8H2,1H3,(H,24,25)
InChIKeyNMGRZCFCKUIIJN-UHFFFAOYSA-N
MW362.37 g/mol
LogP1.60
Rot. Bonds3

About 4-[6-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylic acid

4-[6-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylic acid (PubChem CID 67154099) has the molecular formula C16H19FN6O3 and a molecular weight of 362.37 g/mol. Its IUPAC name is 4-[6-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[6-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylic acid
PubChem CID67154099
Molecular FormulaC16H19FN6O3
Molecular Weight362.37 g/mol
Exact Mass362.15
IUPAC Name4-[6-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylic acid
SMILESCc1c(OC2CCN(C(=O)O)CC2F)ncnc1N1CCn2nccc21
InChIInChI=1S/C16H19FN6O3/c1-10-14(22-6-7-23-13(22)2-4-20-23)18-9-19-15(10)26-12-3-5-21(16(24)25)8-11(12)17/h2,4,9,11-12H,3,5-8H2,1H3,(H,24,25)
InChIKeyNMGRZCFCKUIIJN-UHFFFAOYSA-N
XLogP1.60
TPSA96.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(1-methylcyclopropyl) 4-[6-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylate
CID 67154148
(3S,4S)-3-fluoro-4-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 71226914
tert-butyl 4-[6-(6,7-dihydroimidazo[1,2-b]pyrazol-5-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylate
CID 67154080
(3S,4R)-4-[(3-carbamoyl-6-chloro-2-pyridinyl)oxy]-3-fluoropiperidine-1-carboxylic acid
CID 118665612
(3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-3-fluoropiperidine-1-carboxylic acid
CID 175815286
(3S,4R)-4-[[3-carbamoyl-5-(1-methyltriazol-4-yl)-2-pyridinyl]oxy]-3-fluoropiperidine-1-carboxylic acid
CID 118167688
3-fluoro-4-methylpiperidine-1-carboxylic acid
CID 87324536
(3S,4R)-4-[2-carbamoyl-4-(1-methylimidazol-4-yl)phenoxy]-3-fluoropiperidine-1-carboxylic acid
CID 118167851
(3S,4R)-3-[[2-[(1-ethylpyrazol-4-yl)amino]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]-4-fluoropiperidine-1-carboxylic acid
CID 155144279
[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-pyrimidin-4-ylmethanone
CID 121261823
(3S,4R)-3-fluoro-4-[(5-nitro-1-benzofuran-7-yl)oxy]piperidine-1-carboxylic acid
CID 66893557
4-[5-methyl-6-[(Z)-1-[4-(trifluoromethoxy)phenyl]ethylideneamino]oxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 87578648

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylic acid?
The IUPAC name of 4-[6-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylic acid (CID 67154099) is 4-[6-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylic acid.
What is the SMILES notation for 4-[6-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylic acid?
The canonical SMILES for 4-[6-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylic acid is Cc1c(OC2CCN(C(=O)O)CC2F)ncnc1N1CCn2nccc21.
What is the InChIKey of 4-[6-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylic acid?
The InChIKey is NMGRZCFCKUIIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN6O3/c1-10-14(22-6-7-23-13(22)2-4-20-23)18-9-19-15(10)26-12-3-5-21(16(24)25)8-11(12)17/h2,4,9,11-12H,3,5-8H2,1H3,(H,24,25).
What are the key properties of 4-[6-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylic acid?
4-[6-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylic acid has a molecular weight of 362.37 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylic acid is sourced from PubChem (CID 67154099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).