tert-butyl 4-[6-(6,7-dihydroimidazo[1,2-b]pyrazol-5-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylate

C20H27FN6O3 — CID 67154080

IUPACtert-butyl 4-[6-(6,7-dihydroimidazo[1,2-b]pyrazol-5-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylate
SMILESCc1c(OC2CCN(C(=O)OC(C)(C)C)CC2F)ncnc1N1CCc2nccn21
InChIInChI=1S/C20H27FN6O3/c1-13-17(27-9-6-16-22-7-10-26(16)27)23-12-24-18(13)29-15-5-8-25(11-14(15)21)19(28)30-20(2,3)4/h7,10,12,14-15H,5-6,8-9,11H2,1-4H3
InChIKeyKMQGEYVNXFDZIB-UHFFFAOYSA-N
MW418.47 g/mol
LogP2.53
Rot. Bonds3

About tert-butyl 4-[6-(6,7-dihydroimidazo[1,2-b]pyrazol-5-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylate

tert-butyl 4-[6-(6,7-dihydroimidazo[1,2-b]pyrazol-5-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylate (PubChem CID 67154080) has the molecular formula C20H27FN6O3 and a molecular weight of 418.47 g/mol. Its IUPAC name is tert-butyl 4-[6-(6,7-dihydroimidazo[1,2-b]pyrazol-5-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[6-(6,7-dihydroimidazo[1,2-b]pyrazol-5-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylate
PubChem CID67154080
Molecular FormulaC20H27FN6O3
Molecular Weight418.47 g/mol
Exact Mass418.21
IUPAC Nametert-butyl 4-[6-(6,7-dihydroimidazo[1,2-b]pyrazol-5-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylate
SMILESCc1c(OC2CCN(C(=O)OC(C)(C)C)CC2F)ncnc1N1CCc2nccn21
InChIInChI=1S/C20H27FN6O3/c1-13-17(27-9-6-16-22-7-10-26(16)27)23-12-24-18(13)29-15-5-8-25(11-14(15)21)19(28)30-20(2,3)4/h7,10,12,14-15H,5-6,8-9,11H2,1-4H3
InChIKeyKMQGEYVNXFDZIB-UHFFFAOYSA-N
XLogP2.53
TPSA85.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[6-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylic acid
CID 67154099
(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-(4-aminophenoxy)-3-fluoropiperidine-1-carboxylate
CID 142395386
tert-butyl (3R,4S)-3-fluoro-4-(4-methylsulfonylphenoxy)piperidine-1-carboxylate
CID 178170937
tert-butyl 4-(5-methyl-6-piperazin-1-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 135219469
tert-butyl (3S,4S)-4-ethenoxy-3-fluoropiperidine-1-carboxylate
CID 156538377
tert-butyl (3R,4S)-3-fluoro-4-(trideuteriomethoxy)piperidine-1-carboxylate
CID 165390537
tert-butyl (3S,4S)-3-fluoro-4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate
CID 156538686
tert-butyl (3R,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate
CID 67086934
tert-butyl 4-[5-methyl-6-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 51038247
tert-butyl (3S,4R)-3-fluoro-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine-1-carboxylate
CID 169128359

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-(6,7-dihydroimidazo[1,2-b]pyrazol-5-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[6-(6,7-dihydroimidazo[1,2-b]pyrazol-5-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylate (CID 67154080) is tert-butyl 4-[6-(6,7-dihydroimidazo[1,2-b]pyrazol-5-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[6-(6,7-dihydroimidazo[1,2-b]pyrazol-5-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[6-(6,7-dihydroimidazo[1,2-b]pyrazol-5-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylate is Cc1c(OC2CCN(C(=O)OC(C)(C)C)CC2F)ncnc1N1CCc2nccn21.
What is the InChIKey of tert-butyl 4-[6-(6,7-dihydroimidazo[1,2-b]pyrazol-5-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylate?
The InChIKey is KMQGEYVNXFDZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN6O3/c1-13-17(27-9-6-16-22-7-10-26(16)27)23-12-24-18(13)29-15-5-8-25(11-14(15)21)19(28)30-20(2,3)4/h7,10,12,14-15H,5-6,8-9,11H2,1-4H3.
What are the key properties of tert-butyl 4-[6-(6,7-dihydroimidazo[1,2-b]pyrazol-5-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylate?
tert-butyl 4-[6-(6,7-dihydroimidazo[1,2-b]pyrazol-5-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylate has a molecular weight of 418.47 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-(6,7-dihydroimidazo[1,2-b]pyrazol-5-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylate is sourced from PubChem (CID 67154080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).