1-[2-[6-[[4-(difluoromethoxy)-2-pyridinyl]amino]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone

C24H28F2N8O3 — CID 163662547

IUPAC1-[2-[6-[[4-(difluoromethoxy)-2-pyridinyl]amino]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
SMILESCC(=O)N1CCC2(CC1)CN(c1cc(Nc3cc(OC(F)F)ccn3)nc(-c3cnn(CCO)c3)n1)C2
InChIInChI=1S/C24H28F2N8O3/c1-16(36)32-6-3-24(4-7-32)14-33(15-24)21-11-20(29-19-10-18(2-5-27-19)37-23(25)26)30-22(31-21)17-12-28-34(13-17)8-9-35/h2,5,10-13,23,35H,3-4,6-9,14-15H2,1H3,(H,27,29,30,31)
InChIKeyIVPYXAMMBBQFIS-UHFFFAOYSA-N
MW514.54 g/mol
LogP2.52
Rot. Bonds8

About 1-[2-[6-[[4-(difluoromethoxy)-2-pyridinyl]amino]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone

1-[2-[6-[[4-(difluoromethoxy)-2-pyridinyl]amino]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone (PubChem CID 163662547) has the molecular formula C24H28F2N8O3 and a molecular weight of 514.54 g/mol. Its IUPAC name is 1-[2-[6-[[4-(difluoromethoxy)-2-pyridinyl]amino]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone.

Molecular Properties

Compound Name1-[2-[6-[[4-(difluoromethoxy)-2-pyridinyl]amino]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
PubChem CID163662547
Molecular FormulaC24H28F2N8O3
Molecular Weight514.54 g/mol
Exact Mass514.23
IUPAC Name1-[2-[6-[[4-(difluoromethoxy)-2-pyridinyl]amino]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
SMILESCC(=O)N1CCC2(CC1)CN(c1cc(Nc3cc(OC(F)F)ccn3)nc(-c3cnn(CCO)c3)n1)C2
InChIInChI=1S/C24H28F2N8O3/c1-16(36)32-6-3-24(4-7-32)14-33(15-24)21-11-20(29-19-10-18(2-5-27-19)37-23(25)26)30-22(31-21)17-12-28-34(13-17)8-9-35/h2,5,10-13,23,35H,3-4,6-9,14-15H2,1H3,(H,27,29,30,31)
InChIKeyIVPYXAMMBBQFIS-UHFFFAOYSA-N
XLogP2.52
TPSA121.53 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.54
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-[2-[6-[[4-(difluoromethoxy)-2-pyridinyl]amino]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-[[4-(difluoromethoxy)-2-pyridinyl]amino]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
The IUPAC name of 1-[2-[6-[[4-(difluoromethoxy)-2-pyridinyl]amino]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone (CID 163662547) is 1-[2-[6-[[4-(difluoromethoxy)-2-pyridinyl]amino]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone.
What is the SMILES notation for 1-[2-[6-[[4-(difluoromethoxy)-2-pyridinyl]amino]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
The canonical SMILES for 1-[2-[6-[[4-(difluoromethoxy)-2-pyridinyl]amino]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone is CC(=O)N1CCC2(CC1)CN(c1cc(Nc3cc(OC(F)F)ccn3)nc(-c3cnn(CCO)c3)n1)C2.
What is the InChIKey of 1-[2-[6-[[4-(difluoromethoxy)-2-pyridinyl]amino]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
The InChIKey is IVPYXAMMBBQFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N8O3/c1-16(36)32-6-3-24(4-7-32)14-33(15-24)21-11-20(29-19-10-18(2-5-27-19)37-23(25)26)30-22(31-21)17-12-28-34(13-17)8-9-35/h2,5,10-13,23,35H,3-4,6-9,14-15H2,1H3,(H,27,29,30,31).
What are the key properties of 1-[2-[6-[[4-(difluoromethoxy)-2-pyridinyl]amino]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
1-[2-[6-[[4-(difluoromethoxy)-2-pyridinyl]amino]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone has a molecular weight of 514.54 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-[[4-(difluoromethoxy)-2-pyridinyl]amino]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone is sourced from PubChem (CID 163662547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).