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

C20H25FN6O3 — CID 67154148

IUPAC(1-methylcyclopropyl) 4-[6-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylate
SMILESCc1c(OC2CCN(C(=O)OC3(C)CC3)CC2F)ncnc1N1CCn2nccc21
InChIInChI=1S/C20H25FN6O3/c1-13-17(26-9-10-27-16(26)3-7-24-27)22-12-23-18(13)29-15-4-8-25(11-14(15)21)19(28)30-20(2)5-6-20/h3,7,12,14-15H,4-6,8-11H2,1-2H3
InChIKeyZPHSJALPODVKEO-UHFFFAOYSA-N
MW416.46 g/mol
LogP2.61
Rot. Bonds4

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

(1-methylcyclopropyl) 4-[6-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylate (PubChem CID 67154148) has the molecular formula C20H25FN6O3 and a molecular weight of 416.46 g/mol. Its IUPAC name is (1-methylcyclopropyl) 4-[6-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylate.

Molecular Properties

Compound Name(1-methylcyclopropyl) 4-[6-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylate
PubChem CID67154148
Molecular FormulaC20H25FN6O3
Molecular Weight416.46 g/mol
Exact Mass416.20
IUPAC Name(1-methylcyclopropyl) 4-[6-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylate
SMILESCc1c(OC2CCN(C(=O)OC3(C)CC3)CC2F)ncnc1N1CCn2nccc21
InChIInChI=1S/C20H25FN6O3/c1-13-17(26-9-10-27-16(26)3-7-24-27)22-12-23-18(13)29-15-4-8-25(11-14(15)21)19(28)30-20(2)5-6-20/h3,7,12,14-15H,4-6,8-11H2,1-2H3
InChIKeyZPHSJALPODVKEO-UHFFFAOYSA-N
XLogP2.61
TPSA85.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (1-methylcyclopropyl) 4-[6-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropyl) 4-[6-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylate?
The IUPAC name of (1-methylcyclopropyl) 4-[6-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylate (CID 67154148) is (1-methylcyclopropyl) 4-[6-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylate.
What is the SMILES notation for (1-methylcyclopropyl) 4-[6-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylate?
The canonical SMILES for (1-methylcyclopropyl) 4-[6-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylate is Cc1c(OC2CCN(C(=O)OC3(C)CC3)CC2F)ncnc1N1CCn2nccc21.
What is the InChIKey of (1-methylcyclopropyl) 4-[6-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylate?
The InChIKey is ZPHSJALPODVKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN6O3/c1-13-17(26-9-10-27-16(26)3-7-24-27)22-12-23-18(13)29-15-4-8-25(11-14(15)21)19(28)30-20(2)5-6-20/h3,7,12,14-15H,4-6,8-11H2,1-2H3.
What are the key properties of (1-methylcyclopropyl) 4-[6-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylate?
(1-methylcyclopropyl) 4-[6-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylate has a molecular weight of 416.46 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopropyl) 4-[6-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-5-methylpyrimidin-4-yl]oxy-3-fluoropiperidine-1-carboxylate is sourced from PubChem (CID 67154148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).