(1-methylpyrazol-3-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone

C17H22N6O — CID 97409309

IUPAC(1-methylpyrazol-3-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone
SMILESCn1ccc(C(=O)N2CCC3(CCCN3c3ncccn3)CC2)n1
InChIInChI=1S/C17H22N6O/c1-21-11-4-14(20-21)15(24)22-12-6-17(7-13-22)5-2-10-23(17)16-18-8-3-9-19-16/h3-4,8-9,11H,2,5-7,10,12-13H2,1H3
InChIKeyGLJSDNPPWRJJCH-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.49
Rot. Bonds2

About (1-methylpyrazol-3-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone

(1-methylpyrazol-3-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone (PubChem CID 97409309) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone
PubChem CID97409309
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name(1-methylpyrazol-3-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone
SMILESCn1ccc(C(=O)N2CCC3(CCCN3c3ncccn3)CC2)n1
InChIInChI=1S/C17H22N6O/c1-21-11-4-14(20-21)15(24)22-12-6-17(7-13-22)5-2-10-23(17)16-18-8-3-9-19-16/h3-4,8-9,11H,2,5-7,10,12-13H2,1H3
InChIKeyGLJSDNPPWRJJCH-UHFFFAOYSA-N
XLogP1.49
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (1-methylpyrazol-3-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone (CID 97409309) is (1-methylpyrazol-3-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (1-methylpyrazol-3-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (1-methylpyrazol-3-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone is Cn1ccc(C(=O)N2CCC3(CCCN3c3ncccn3)CC2)n1.
What is the InChIKey of (1-methylpyrazol-3-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone?
The InChIKey is GLJSDNPPWRJJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-21-11-4-14(20-21)15(24)22-12-6-17(7-13-22)5-2-10-23(17)16-18-8-3-9-19-16/h3-4,8-9,11H,2,5-7,10,12-13H2,1H3.
What are the key properties of (1-methylpyrazol-3-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone?
(1-methylpyrazol-3-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone has a molecular weight of 326.40 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 97409309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).