5-[4-amino-8-(2,3-dichlorophenyl)pyrido[3,2-d]pyrimidin-6-yl]-5-azaspiro[2.4]heptan-6-one

C19H15Cl2N5O — CID 178009569

IUPAC5-[4-amino-8-(2,3-dichlorophenyl)pyrido[3,2-d]pyrimidin-6-yl]-5-azaspiro[2.4]heptan-6-one
SMILESNc1ncnc2c(-c3cccc(Cl)c3Cl)cc(N3CC4(CC4)CC3=O)nc12
InChIInChI=1S/C19H15Cl2N5O/c20-12-3-1-2-10(15(12)21)11-6-13(25-17-16(11)23-9-24-18(17)22)26-8-19(4-5-19)7-14(26)27/h1-3,6,9H,4-5,7-8H2,(H2,22,23,24)
InChIKeyLUCCOVJZYAIRBQ-UHFFFAOYSA-N
MW400.27 g/mol
LogP4.10
Rot. Bonds2

About 5-[4-amino-8-(2,3-dichlorophenyl)pyrido[3,2-d]pyrimidin-6-yl]-5-azaspiro[2.4]heptan-6-one

5-[4-amino-8-(2,3-dichlorophenyl)pyrido[3,2-d]pyrimidin-6-yl]-5-azaspiro[2.4]heptan-6-one (PubChem CID 178009569) has the molecular formula C19H15Cl2N5O and a molecular weight of 400.27 g/mol. Its IUPAC name is 5-[4-amino-8-(2,3-dichlorophenyl)pyrido[3,2-d]pyrimidin-6-yl]-5-azaspiro[2.4]heptan-6-one.

Molecular Properties

Compound Name5-[4-amino-8-(2,3-dichlorophenyl)pyrido[3,2-d]pyrimidin-6-yl]-5-azaspiro[2.4]heptan-6-one
PubChem CID178009569
Molecular FormulaC19H15Cl2N5O
Molecular Weight400.27 g/mol
Exact Mass399.07
IUPAC Name5-[4-amino-8-(2,3-dichlorophenyl)pyrido[3,2-d]pyrimidin-6-yl]-5-azaspiro[2.4]heptan-6-one
SMILESNc1ncnc2c(-c3cccc(Cl)c3Cl)cc(N3CC4(CC4)CC3=O)nc12
InChIInChI=1S/C19H15Cl2N5O/c20-12-3-1-2-10(15(12)21)11-6-13(25-17-16(11)23-9-24-18(17)22)26-8-19(4-5-19)7-14(26)27/h1-3,6,9H,4-5,7-8H2,(H2,22,23,24)
InChIKeyLUCCOVJZYAIRBQ-UHFFFAOYSA-N
XLogP4.10
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.27
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[4-amino-8-(2,3-dichlorophenyl)pyrido[3,2-d]pyrimidin-6-yl]-5-azaspiro[2.4]heptan-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-amino-8-(2,3-dichlorophenyl)pyrido[3,2-d]pyrimidin-6-yl]-5-azaspiro[2.4]heptan-6-one?
The IUPAC name of 5-[4-amino-8-(2,3-dichlorophenyl)pyrido[3,2-d]pyrimidin-6-yl]-5-azaspiro[2.4]heptan-6-one (CID 178009569) is 5-[4-amino-8-(2,3-dichlorophenyl)pyrido[3,2-d]pyrimidin-6-yl]-5-azaspiro[2.4]heptan-6-one.
What is the SMILES notation for 5-[4-amino-8-(2,3-dichlorophenyl)pyrido[3,2-d]pyrimidin-6-yl]-5-azaspiro[2.4]heptan-6-one?
The canonical SMILES for 5-[4-amino-8-(2,3-dichlorophenyl)pyrido[3,2-d]pyrimidin-6-yl]-5-azaspiro[2.4]heptan-6-one is Nc1ncnc2c(-c3cccc(Cl)c3Cl)cc(N3CC4(CC4)CC3=O)nc12.
What is the InChIKey of 5-[4-amino-8-(2,3-dichlorophenyl)pyrido[3,2-d]pyrimidin-6-yl]-5-azaspiro[2.4]heptan-6-one?
The InChIKey is LUCCOVJZYAIRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N5O/c20-12-3-1-2-10(15(12)21)11-6-13(25-17-16(11)23-9-24-18(17)22)26-8-19(4-5-19)7-14(26)27/h1-3,6,9H,4-5,7-8H2,(H2,22,23,24).
What are the key properties of 5-[4-amino-8-(2,3-dichlorophenyl)pyrido[3,2-d]pyrimidin-6-yl]-5-azaspiro[2.4]heptan-6-one?
5-[4-amino-8-(2,3-dichlorophenyl)pyrido[3,2-d]pyrimidin-6-yl]-5-azaspiro[2.4]heptan-6-one has a molecular weight of 400.27 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-amino-8-(2,3-dichlorophenyl)pyrido[3,2-d]pyrimidin-6-yl]-5-azaspiro[2.4]heptan-6-one is sourced from PubChem (CID 178009569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).