(1-methylpyrazol-3-yl)-(1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)methanone

C15H18N6O — CID 118744477

IUPAC(1-methylpyrazol-3-yl)-(1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)methanone
SMILESCn1ccc(C(=O)N2CCC3(CCN3c3ncccn3)C2)n1
InChIInChI=1S/C15H18N6O/c1-19-8-3-12(18-19)13(22)20-9-4-15(11-20)5-10-21(15)14-16-6-2-7-17-14/h2-3,6-8H,4-5,9-11H2,1H3
InChIKeyZVPOMBHKFQDLGT-UHFFFAOYSA-N
MW298.35 g/mol
LogP0.71
Rot. Bonds2

About (1-methylpyrazol-3-yl)-(1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)methanone

(1-methylpyrazol-3-yl)-(1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)methanone (PubChem CID 118744477) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-(1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)methanone.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-(1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)methanone
PubChem CID118744477
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name(1-methylpyrazol-3-yl)-(1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)methanone
SMILESCn1ccc(C(=O)N2CCC3(CCN3c3ncccn3)C2)n1
InChIInChI=1S/C15H18N6O/c1-19-8-3-12(18-19)13(22)20-9-4-15(11-20)5-10-21(15)14-16-6-2-7-17-14/h2-3,6-8H,4-5,9-11H2,1H3
InChIKeyZVPOMBHKFQDLGT-UHFFFAOYSA-N
XLogP0.71
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.71
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-1,7-diazaspiro[3.4]octan-7-yl)methanone?
The IUPAC name of (1-methylpyrazol-3-yl)-(1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)methanone (CID 118744477) is (1-methylpyrazol-3-yl)-(1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)methanone.
What is the SMILES notation for (1-methylpyrazol-3-yl)-(1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)methanone?
The canonical SMILES for (1-methylpyrazol-3-yl)-(1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)methanone is Cn1ccc(C(=O)N2CCC3(CCN3c3ncccn3)C2)n1.
What is the InChIKey of (1-methylpyrazol-3-yl)-(1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)methanone?
The InChIKey is ZVPOMBHKFQDLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-19-8-3-12(18-19)13(22)20-9-4-15(11-20)5-10-21(15)14-16-6-2-7-17-14/h2-3,6-8H,4-5,9-11H2,1H3.
What are the key properties of (1-methylpyrazol-3-yl)-(1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)methanone?
(1-methylpyrazol-3-yl)-(1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)methanone has a molecular weight of 298.35 g/mol, XLogP of 0.71, 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-1,7-diazaspiro[3.4]octan-7-yl)methanone is sourced from PubChem (CID 118744477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).