6-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

C19H20N4O3S2 — CID 17438130

IUPAC6-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(CSc3ccc(S(=O)(=O)N4CCCC4)cn3)cc(=O)n12
InChIInChI=1S/C19H20N4O3S2/c1-14-5-4-6-17-21-15(11-19(24)23(14)17)13-27-18-8-7-16(12-20-18)28(25,26)22-9-2-3-10-22/h4-8,11-12H,2-3,9-10,13H2,1H3
InChIKeyAALMMVOMDQJRIR-UHFFFAOYSA-N
MW416.53 g/mol
LogP2.47
Rot. Bonds5

About 6-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

6-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 17438130) has the molecular formula C19H20N4O3S2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 6-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID17438130
Molecular FormulaC19H20N4O3S2
Molecular Weight416.53 g/mol
Exact Mass416.10
IUPAC Name6-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(CSc3ccc(S(=O)(=O)N4CCCC4)cn3)cc(=O)n12
InChIInChI=1S/C19H20N4O3S2/c1-14-5-4-6-17-21-15(11-19(24)23(14)17)13-27-18-8-7-16(12-20-18)28(25,26)22-9-2-3-10-22/h4-8,11-12H,2-3,9-10,13H2,1H3
InChIKeyAALMMVOMDQJRIR-UHFFFAOYSA-N
XLogP2.47
TPSA84.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

6-methyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 9254526
1-[(6-benzylsulfanyl-3-pyridinyl)sulfonyl]azepane
CID 7593932
4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-2-thiophen-2-yl-1,3-thiazole
CID 46815210
2-(3-fluorophenyl)-4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-1,3-oxazole
CID 33344129
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine
CID 7594028
2-[(3-nitrophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine
CID 27585815
2-(3-fluorophenyl)-4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-1,3-oxazole
CID 33342843
5-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole
CID 36807211
2-[(4-methylsulfanylphenyl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine
CID 7561735
N-phenyl-4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 38969728
2-[(4-chlorophenyl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine
CID 7759312
2-ethyl-5-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 18130725

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one (CID 17438130) is 6-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cccc2nc(CSc3ccc(S(=O)(=O)N4CCCC4)cn3)cc(=O)n12.
What is the InChIKey of 6-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is AALMMVOMDQJRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S2/c1-14-5-4-6-17-21-15(11-19(24)23(14)17)13-27-18-8-7-16(12-20-18)28(25,26)22-9-2-3-10-22/h4-8,11-12H,2-3,9-10,13H2,1H3.
What are the key properties of 6-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
6-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 416.53 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 17438130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).