6-(3,5-dichlorophenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one

C17H14Cl2N4O — CID 25251774

IUPAC6-(3,5-dichlorophenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one
SMILESO=c1c2cnc(N3CCCC3)nc2ccn1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H14Cl2N4O/c18-11-7-12(19)9-13(8-11)23-6-3-15-14(16(23)24)10-20-17(21-15)22-4-1-2-5-22/h3,6-10H,1-2,4-5H2
InChIKeyBTNBUHDRKZCWOY-UHFFFAOYSA-N
MW361.23 g/mol
LogP3.69
Rot. Bonds2

About 6-(3,5-dichlorophenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one

6-(3,5-dichlorophenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one (PubChem CID 25251774) has the molecular formula C17H14Cl2N4O and a molecular weight of 361.23 g/mol. Its IUPAC name is 6-(3,5-dichlorophenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name6-(3,5-dichlorophenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one
PubChem CID25251774
Molecular FormulaC17H14Cl2N4O
Molecular Weight361.23 g/mol
Exact Mass360.05
IUPAC Name6-(3,5-dichlorophenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one
SMILESO=c1c2cnc(N3CCCC3)nc2ccn1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H14Cl2N4O/c18-11-7-12(19)9-13(8-11)23-6-3-15-14(16(23)24)10-20-17(21-15)22-4-1-2-5-22/h3,6-10H,1-2,4-5H2
InChIKeyBTNBUHDRKZCWOY-UHFFFAOYSA-N
XLogP3.69
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-methylphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one
CID 25239662
6-(4-bromophenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one
CID 30467452
6-(3-methoxyphenyl)-2-piperidin-1-ylpyrido[4,3-d]pyrimidin-5-one
CID 30467389
2-pyrrolidin-1-yl-6-(2-sulfanylphenyl)pyrido[4,3-d]pyrimidin-5-one
CID 46397650
2-pyrrolidin-1-yl-6H-pyrido[4,3-d]pyrimidin-5-one
CID 20867039
6-bromo-2-piperidin-1-ylquinazoline
CID 165497693
N-(2-morpholin-4-yl-5-oxopyrido[4,3-d]pyrimidin-6-yl)acetamide
CID 17198708
4-chloro-2-piperidin-1-ylquinazoline
CID 15692068
2-(azetidin-1-yl)-5-chloropyrimidine-4-carboxylic acid
CID 84679906
2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6-methylpyrido[4,3-d]pyrimidin-5-one;hydrochloride
CID 3064548
11-(3,5-dichlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66508858
2-(4-ethylpiperazin-1-yl)-6-(2-phenylethyl)pyrido[4,3-d]pyrimidin-5-one
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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dichlorophenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 6-(3,5-dichlorophenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one (CID 25251774) is 6-(3,5-dichlorophenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 6-(3,5-dichlorophenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 6-(3,5-dichlorophenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one is O=c1c2cnc(N3CCCC3)nc2ccn1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 6-(3,5-dichlorophenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one?
The InChIKey is BTNBUHDRKZCWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O/c18-11-7-12(19)9-13(8-11)23-6-3-15-14(16(23)24)10-20-17(21-15)22-4-1-2-5-22/h3,6-10H,1-2,4-5H2.
What are the key properties of 6-(3,5-dichlorophenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one?
6-(3,5-dichlorophenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one has a molecular weight of 361.23 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dichlorophenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 25251774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).