1-[5,5-difluoro-2-[6-[(4-methoxy-2-pyridinyl)amino]-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone

C23H26F2N8O2 — CID 159984924

IUPAC1-[5,5-difluoro-2-[6-[(4-methoxy-2-pyridinyl)amino]-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
SMILESCOc1ccnc(Nc2cc(N3CC4(CCN(C(C)=O)CC4(F)F)C3)nc(-c3cnn(C)c3)n2)c1
InChIInChI=1S/C23H26F2N8O2/c1-15(34)32-7-5-22(23(24,25)14-32)12-33(13-22)20-9-19(28-18-8-17(35-3)4-6-26-18)29-21(30-20)16-10-27-31(2)11-16/h4,6,8-11H,5,7,12-14H2,1-3H3,(H,26,28,29,30)
InChIKeyOGFGGMURENMFBD-UHFFFAOYSA-N
MW484.51 g/mol
LogP2.72
Rot. Bonds5

About 1-[5,5-difluoro-2-[6-[(4-methoxy-2-pyridinyl)amino]-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone

1-[5,5-difluoro-2-[6-[(4-methoxy-2-pyridinyl)amino]-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone (PubChem CID 159984924) has the molecular formula C23H26F2N8O2 and a molecular weight of 484.51 g/mol. Its IUPAC name is 1-[5,5-difluoro-2-[6-[(4-methoxy-2-pyridinyl)amino]-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone.

Molecular Properties

Compound Name1-[5,5-difluoro-2-[6-[(4-methoxy-2-pyridinyl)amino]-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
PubChem CID159984924
Molecular FormulaC23H26F2N8O2
Molecular Weight484.51 g/mol
Exact Mass484.21
IUPAC Name1-[5,5-difluoro-2-[6-[(4-methoxy-2-pyridinyl)amino]-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
SMILESCOc1ccnc(Nc2cc(N3CC4(CCN(C(C)=O)CC4(F)F)C3)nc(-c3cnn(C)c3)n2)c1
InChIInChI=1S/C23H26F2N8O2/c1-15(34)32-7-5-22(23(24,25)14-32)12-33(13-22)20-9-19(28-18-8-17(35-3)4-6-26-18)29-21(30-20)16-10-27-31(2)11-16/h4,6,8-11H,5,7,12-14H2,1-3H3,(H,26,28,29,30)
InChIKeyOGFGGMURENMFBD-UHFFFAOYSA-N
XLogP2.72
TPSA101.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.51
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[5,5-difluoro-2-[6-[(4-methoxy-2-pyridinyl)amino]-2-(1-methylpyrazol-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-[5,5-difluoro-2-[6-[(4-methoxy-2-pyridinyl)amino]-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
The IUPAC name of 1-[5,5-difluoro-2-[6-[(4-methoxy-2-pyridinyl)amino]-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone (CID 159984924) is 1-[5,5-difluoro-2-[6-[(4-methoxy-2-pyridinyl)amino]-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone.
What is the SMILES notation for 1-[5,5-difluoro-2-[6-[(4-methoxy-2-pyridinyl)amino]-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
The canonical SMILES for 1-[5,5-difluoro-2-[6-[(4-methoxy-2-pyridinyl)amino]-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone is COc1ccnc(Nc2cc(N3CC4(CCN(C(C)=O)CC4(F)F)C3)nc(-c3cnn(C)c3)n2)c1.
What is the InChIKey of 1-[5,5-difluoro-2-[6-[(4-methoxy-2-pyridinyl)amino]-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
The InChIKey is OGFGGMURENMFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N8O2/c1-15(34)32-7-5-22(23(24,25)14-32)12-33(13-22)20-9-19(28-18-8-17(35-3)4-6-26-18)29-21(30-20)16-10-27-31(2)11-16/h4,6,8-11H,5,7,12-14H2,1-3H3,(H,26,28,29,30).
What are the key properties of 1-[5,5-difluoro-2-[6-[(4-methoxy-2-pyridinyl)amino]-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
1-[5,5-difluoro-2-[6-[(4-methoxy-2-pyridinyl)amino]-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone has a molecular weight of 484.51 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5,5-difluoro-2-[6-[(4-methoxy-2-pyridinyl)amino]-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone is sourced from PubChem (CID 159984924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).