8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one

C16H21N7O — CID 162351829

IUPAC8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCn1cc(Nc2nccc(N3CCC4(CCNC4=O)CC3)n2)cn1
InChIInChI=1S/C16H21N7O/c1-22-11-12(10-19-22)20-15-18-6-2-13(21-15)23-8-4-16(5-9-23)3-7-17-14(16)24/h2,6,10-11H,3-5,7-9H2,1H3,(H,17,24)(H,18,20,21)
InChIKeyJEFDPWLFTMLOIM-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.06
Rot. Bonds3

About 8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one

8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 162351829) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is 8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID162351829
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCn1cc(Nc2nccc(N3CCC4(CCNC4=O)CC3)n2)cn1
InChIInChI=1S/C16H21N7O/c1-22-11-12(10-19-22)20-15-18-6-2-13(21-15)23-8-4-16(5-9-23)3-7-17-14(16)24/h2,6,10-11H,3-5,7-9H2,1H3,(H,17,24)(H,18,20,21)
InChIKeyJEFDPWLFTMLOIM-UHFFFAOYSA-N
XLogP1.06
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one with MolForge

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Related Compounds

Brepocitinib
CID 118878093
Jak1/tyk2-IN-1
CID 118878262
US9663526, Example 94
CID 118878190
((S)-2,2-difluorocyclopropyl)(3-(2-((1-methyl-1H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 135087198
Jak1/tyk2-IN-4
CID 162351808
8-[5-Methyl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 162351819
Jak1/tyk2-IN-3
CID 162351826
[(1S)-2,2-difluorocyclopropyl]-[(1R,5R)-3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
CID 155520341
[(1R)-2,2-difluorocyclopropyl]-[(1R,5R)-3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
CID 155534972
(1R,5R)-N-ethyl-3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 155541097
(1R,5R)-N-(cyanomethyl)-3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 155542578
(1R,5R)-3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 155543349

Frequently Asked Questions

What is the IUPAC name of 8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one (CID 162351829) is 8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one is Cn1cc(Nc2nccc(N3CCC4(CCNC4=O)CC3)n2)cn1.
What is the InChIKey of 8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is JEFDPWLFTMLOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O/c1-22-11-12(10-19-22)20-15-18-6-2-13(21-15)23-8-4-16(5-9-23)3-7-17-14(16)24/h2,6,10-11H,3-5,7-9H2,1H3,(H,17,24)(H,18,20,21).
What are the key properties of 8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one?
8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 327.39 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 162351829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).