2-methyl-1-[4-[4-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidin-2-yl]pyrazol-1-yl]propan-2-ol

C25H31F3N8O2 — CID 166713215

IUPAC2-methyl-1-[4-[4-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidin-2-yl]pyrazol-1-yl]propan-2-ol
SMILESCN1CCC2(CC1)CN(c1cc(Nc3cc(OC(F)(F)F)ccn3)nc(-c3cnn(CC(C)(C)O)c3)n1)C2
InChIInChI=1S/C25H31F3N8O2/c1-23(2,37)14-36-13-17(12-30-36)22-32-20(31-19-10-18(4-7-29-19)38-25(26,27)28)11-21(33-22)35-15-24(16-35)5-8-34(3)9-6-24/h4,7,10-13,37H,5-6,8-9,14-16H2,1-3H3,(H,29,31,32,33)
InChIKeyFFJMDFQVHVVTNK-UHFFFAOYSA-N
MW532.57 g/mol
LogP3.68
Rot. Bonds7

About 2-methyl-1-[4-[4-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidin-2-yl]pyrazol-1-yl]propan-2-ol

2-methyl-1-[4-[4-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidin-2-yl]pyrazol-1-yl]propan-2-ol (PubChem CID 166713215) has the molecular formula C25H31F3N8O2 and a molecular weight of 532.57 g/mol. Its IUPAC name is 2-methyl-1-[4-[4-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidin-2-yl]pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[4-[4-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidin-2-yl]pyrazol-1-yl]propan-2-ol
PubChem CID166713215
Molecular FormulaC25H31F3N8O2
Molecular Weight532.57 g/mol
Exact Mass532.25
IUPAC Name2-methyl-1-[4-[4-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidin-2-yl]pyrazol-1-yl]propan-2-ol
SMILESCN1CCC2(CC1)CN(c1cc(Nc3cc(OC(F)(F)F)ccn3)nc(-c3cnn(CC(C)(C)O)c3)n1)C2
InChIInChI=1S/C25H31F3N8O2/c1-23(2,37)14-36-13-17(12-30-36)22-32-20(31-19-10-18(4-7-29-19)38-25(26,27)28)11-21(33-22)35-15-24(16-35)5-8-34(3)9-6-24/h4,7,10-13,37H,5-6,8-9,14-16H2,1-3H3,(H,29,31,32,33)
InChIKeyFFJMDFQVHVVTNK-UHFFFAOYSA-N
XLogP3.68
TPSA104.46 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.57
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-methyl-1-[4-[4-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidin-2-yl]pyrazol-1-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[4-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidin-2-yl]pyrazol-1-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[4-[4-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidin-2-yl]pyrazol-1-yl]propan-2-ol (CID 166713215) is 2-methyl-1-[4-[4-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidin-2-yl]pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[4-[4-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidin-2-yl]pyrazol-1-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[4-[4-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidin-2-yl]pyrazol-1-yl]propan-2-ol is CN1CCC2(CC1)CN(c1cc(Nc3cc(OC(F)(F)F)ccn3)nc(-c3cnn(CC(C)(C)O)c3)n1)C2.
What is the InChIKey of 2-methyl-1-[4-[4-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidin-2-yl]pyrazol-1-yl]propan-2-ol?
The InChIKey is FFJMDFQVHVVTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F3N8O2/c1-23(2,37)14-36-13-17(12-30-36)22-32-20(31-19-10-18(4-7-29-19)38-25(26,27)28)11-21(33-22)35-15-24(16-35)5-8-34(3)9-6-24/h4,7,10-13,37H,5-6,8-9,14-16H2,1-3H3,(H,29,31,32,33).
What are the key properties of 2-methyl-1-[4-[4-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidin-2-yl]pyrazol-1-yl]propan-2-ol?
2-methyl-1-[4-[4-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidin-2-yl]pyrazol-1-yl]propan-2-ol has a molecular weight of 532.57 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[4-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidin-2-yl]pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 166713215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).