2-(cyclopropylmethyl)-8-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

C22H28N4O2 — CID 72855445

IUPAC2-(cyclopropylmethyl)-8-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCN(Cc3cc(=O)n4ccccc4n3)C2)CN1CC1CC1
InChIInChI=1S/C22H28N4O2/c27-20-7-9-22(16-25(20)13-17-5-6-17)8-3-10-24(15-22)14-18-12-21(28)26-11-2-1-4-19(26)23-18/h1-2,4,11-12,17H,3,5-10,13-16H2
InChIKeyONYQGJMOXCPAOS-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.31
Rot. Bonds4

About 2-(cyclopropylmethyl)-8-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

2-(cyclopropylmethyl)-8-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 72855445) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-8-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-8-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID72855445
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name2-(cyclopropylmethyl)-8-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCN(Cc3cc(=O)n4ccccc4n3)C2)CN1CC1CC1
InChIInChI=1S/C22H28N4O2/c27-20-7-9-22(16-25(20)13-17-5-6-17)8-3-10-24(15-22)14-18-12-21(28)26-11-2-1-4-19(26)23-18/h1-2,4,11-12,17H,3,5-10,13-16H2
InChIKeyONYQGJMOXCPAOS-UHFFFAOYSA-N
XLogP2.31
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-8-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-8-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 72855445) is 2-(cyclopropylmethyl)-8-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-8-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-8-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCCN(Cc3cc(=O)n4ccccc4n3)C2)CN1CC1CC1.
What is the InChIKey of 2-(cyclopropylmethyl)-8-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is ONYQGJMOXCPAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c27-20-7-9-22(16-25(20)13-17-5-6-17)8-3-10-24(15-22)14-18-12-21(28)26-11-2-1-4-19(26)23-18/h1-2,4,11-12,17H,3,5-10,13-16H2.
What are the key properties of 2-(cyclopropylmethyl)-8-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
2-(cyclopropylmethyl)-8-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 380.49 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-8-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72855445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).