2-cyclopropyl-9-(6-methylpyrimidin-4-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

C23H28N4O — CID 72850468

IUPAC2-cyclopropyl-9-(6-methylpyrimidin-4-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(N2CCC3(CC2)CC(c2ccccc2)C(=O)N(C2CC2)C3)ncn1
InChIInChI=1S/C23H28N4O/c1-17-13-21(25-16-24-17)26-11-9-23(10-12-26)14-20(18-5-3-2-4-6-18)22(28)27(15-23)19-7-8-19/h2-6,13,16,19-20H,7-12,14-15H2,1H3
InChIKeyUJVIGMZQKNOARP-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.55
Rot. Bonds3

About 2-cyclopropyl-9-(6-methylpyrimidin-4-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

2-cyclopropyl-9-(6-methylpyrimidin-4-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72850468) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-cyclopropyl-9-(6-methylpyrimidin-4-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopropyl-9-(6-methylpyrimidin-4-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72850468
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name2-cyclopropyl-9-(6-methylpyrimidin-4-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(N2CCC3(CC2)CC(c2ccccc2)C(=O)N(C2CC2)C3)ncn1
InChIInChI=1S/C23H28N4O/c1-17-13-21(25-16-24-17)26-11-9-23(10-12-26)14-20(18-5-3-2-4-6-18)22(28)27(15-23)19-7-8-19/h2-6,13,16,19-20H,7-12,14-15H2,1H3
InChIKeyUJVIGMZQKNOARP-UHFFFAOYSA-N
XLogP3.55
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-9-(6-methylpyrimidin-4-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopropyl-9-(6-methylpyrimidin-4-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one (CID 72850468) is 2-cyclopropyl-9-(6-methylpyrimidin-4-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopropyl-9-(6-methylpyrimidin-4-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopropyl-9-(6-methylpyrimidin-4-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one is Cc1cc(N2CCC3(CC2)CC(c2ccccc2)C(=O)N(C2CC2)C3)ncn1.
What is the InChIKey of 2-cyclopropyl-9-(6-methylpyrimidin-4-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is UJVIGMZQKNOARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-17-13-21(25-16-24-17)26-11-9-23(10-12-26)14-20(18-5-3-2-4-6-18)22(28)27(15-23)19-7-8-19/h2-6,13,16,19-20H,7-12,14-15H2,1H3.
What are the key properties of 2-cyclopropyl-9-(6-methylpyrimidin-4-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
2-cyclopropyl-9-(6-methylpyrimidin-4-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 376.50 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-9-(6-methylpyrimidin-4-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72850468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).