2-pyrrolidin-1-yl-6-(2-sulfanylphenyl)pyrido[4,3-d]pyrimidin-5-one

C17H16N4OS — CID 46397650

IUPAC2-pyrrolidin-1-yl-6-(2-sulfanylphenyl)pyrido[4,3-d]pyrimidin-5-one
SMILESO=c1c2cnc(N3CCCC3)nc2ccn1-c1ccccc1S
InChIInChI=1S/C17H16N4OS/c22-16-12-11-18-17(20-8-3-4-9-20)19-13(12)7-10-21(16)14-5-1-2-6-15(14)23/h1-2,5-7,10-11,23H,3-4,8-9H2
InChIKeyKMXAIRFDABCTQP-UHFFFAOYSA-N
MW324.41 g/mol
LogP2.67
Rot. Bonds2

About 2-pyrrolidin-1-yl-6-(2-sulfanylphenyl)pyrido[4,3-d]pyrimidin-5-one

2-pyrrolidin-1-yl-6-(2-sulfanylphenyl)pyrido[4,3-d]pyrimidin-5-one (PubChem CID 46397650) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-6-(2-sulfanylphenyl)pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-6-(2-sulfanylphenyl)pyrido[4,3-d]pyrimidin-5-one
PubChem CID46397650
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name2-pyrrolidin-1-yl-6-(2-sulfanylphenyl)pyrido[4,3-d]pyrimidin-5-one
SMILESO=c1c2cnc(N3CCCC3)nc2ccn1-c1ccccc1S
InChIInChI=1S/C17H16N4OS/c22-16-12-11-18-17(20-8-3-4-9-20)19-13(12)7-10-21(16)14-5-1-2-6-15(14)23/h1-2,5-7,10-11,23H,3-4,8-9H2
InChIKeyKMXAIRFDABCTQP-UHFFFAOYSA-N
XLogP2.67
TPSA51.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

6-(3,5-dichlorophenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one
CID 25251774
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-6H-pyrido[4,3-d]pyrimidin-5-one
CID 20867039
2-(4-ethylpiperazin-1-yl)-6-(2-phenylethyl)pyrido[4,3-d]pyrimidin-5-one
CID 44616046
6-(3-methoxypropyl)-2-(4-phenylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one
CID 44616049
6-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one
CID 17190770
N-(2-morpholin-4-yl-5-oxopyrido[4,3-d]pyrimidin-6-yl)acetamide
CID 17198708
4-chloro-2-piperidin-1-ylquinazoline
CID 15692068
8-phenyl-11-piperidin-1-yl-3,4,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-7-one
CID 90407945
4-methyl-5-phenyl-2-pyrrolidin-1-ylpyrimidine
CID 171989063

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-6-(2-sulfanylphenyl)pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-pyrrolidin-1-yl-6-(2-sulfanylphenyl)pyrido[4,3-d]pyrimidin-5-one (CID 46397650) is 2-pyrrolidin-1-yl-6-(2-sulfanylphenyl)pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-pyrrolidin-1-yl-6-(2-sulfanylphenyl)pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-pyrrolidin-1-yl-6-(2-sulfanylphenyl)pyrido[4,3-d]pyrimidin-5-one is O=c1c2cnc(N3CCCC3)nc2ccn1-c1ccccc1S.
What is the InChIKey of 2-pyrrolidin-1-yl-6-(2-sulfanylphenyl)pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is KMXAIRFDABCTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c22-16-12-11-18-17(20-8-3-4-9-20)19-13(12)7-10-21(16)14-5-1-2-6-15(14)23/h1-2,5-7,10-11,23H,3-4,8-9H2.
What are the key properties of 2-pyrrolidin-1-yl-6-(2-sulfanylphenyl)pyrido[4,3-d]pyrimidin-5-one?
2-pyrrolidin-1-yl-6-(2-sulfanylphenyl)pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 324.41 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-6-(2-sulfanylphenyl)pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 46397650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).