7-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane

C16H22N6 — CID 131658998

IUPAC7-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane
SMILESCc1cc(CN2CCC3(CCN3c3ncccn3)C2)n(C)n1
InChIInChI=1S/C16H22N6/c1-13-10-14(20(2)19-13)11-21-8-4-16(12-21)5-9-22(16)15-17-6-3-7-18-15/h3,6-7,10H,4-5,8-9,11-12H2,1-2H3
InChIKeyPQECDKOXLBPWBW-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.37
Rot. Bonds3

About 7-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane

7-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane (PubChem CID 131658998) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is 7-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name7-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane
PubChem CID131658998
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC Name7-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane
SMILESCc1cc(CN2CCC3(CCN3c3ncccn3)C2)n(C)n1
InChIInChI=1S/C16H22N6/c1-13-10-14(20(2)19-13)11-21-8-4-16(12-21)5-9-22(16)15-17-6-3-7-18-15/h3,6-7,10H,4-5,8-9,11-12H2,1-2H3
InChIKeyPQECDKOXLBPWBW-UHFFFAOYSA-N
XLogP1.37
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane with MolForge

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Related Compounds

2-methyl-1-(1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)propan-2-ol
CID 134072685
(4S)-7-(1H-imidazol-5-ylmethyl)-1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane
CID 97397720
5-[(3-bromopyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole
CID 80676862
(3S,4R)-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79419332
2-[8-[(2,5-dimethylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide
CID 97409287
3-bromo-1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidine
CID 80679515
2-cyclobutyl-8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
CID 91922335
azetidin-1-yl-[1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-pyrazol-1-ylpiperidin-4-yl]methanone;formic acid
CID 155879868
5-[[3-(2-bromoethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazole
CID 114800374
2-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane;tris(2,2,2-trifluoroacetic acid)
CID 155851901
N-[[(7R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide
CID 124809692
N-[[(3S,3aS,6aS)-5-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine
CID 124809808

Frequently Asked Questions

What is the IUPAC name of 7-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane?
The IUPAC name of 7-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane (CID 131658998) is 7-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane.
What is the SMILES notation for 7-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane?
The canonical SMILES for 7-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane is Cc1cc(CN2CCC3(CCN3c3ncccn3)C2)n(C)n1.
What is the InChIKey of 7-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane?
The InChIKey is PQECDKOXLBPWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-13-10-14(20(2)19-13)11-21-8-4-16(12-21)5-9-22(16)15-17-6-3-7-18-15/h3,6-7,10H,4-5,8-9,11-12H2,1-2H3.
What are the key properties of 7-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane?
7-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane has a molecular weight of 298.39 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane is sourced from PubChem (CID 131658998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).