1-[2-[(2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

C19H22N4O2S — CID 92559335

IUPAC1-[2-[(2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCC(=O)N1CCc2nc([C@@H]3CCCN3C(=O)c3ccc(C)s3)ncc2C1
InChIInChI=1S/C19H22N4O2S/c1-12-5-6-17(26-12)19(25)23-8-3-4-16(23)18-20-10-14-11-22(13(2)24)9-7-15(14)21-18/h5-6,10,16H,3-4,7-9,11H2,1-2H3/t16-/m0/s1
InChIKeyPMPGPPJIXXOHGB-INIZCTEOSA-N
MW370.48 g/mol
LogP2.73
Rot. Bonds2

About 1-[2-[(2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

1-[2-[(2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (PubChem CID 92559335) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 1-[2-[(2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
PubChem CID92559335
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name1-[2-[(2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCC(=O)N1CCc2nc([C@@H]3CCCN3C(=O)c3ccc(C)s3)ncc2C1
InChIInChI=1S/C19H22N4O2S/c1-12-5-6-17(26-12)19(25)23-8-3-4-16(23)18-20-10-14-11-22(13(2)24)9-7-15(14)21-18/h5-6,10,16H,3-4,7-9,11H2,1-2H3/t16-/m0/s1
InChIKeyPMPGPPJIXXOHGB-INIZCTEOSA-N
XLogP2.73
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(3R)-1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92559324
1-[2-[(2R)-1-(cyclobutanecarbonyl)piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92549532
1-[2-[1-(cyclobutanecarbonyl)piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 110240476
1-[2-[(2R)-1-(2-methoxybenzoyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92549727
1-[2-[(2R)-1-(5-propan-2-ylthiophene-3-carbonyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92580905
1-[2-[(2S)-1-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 98135305
[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 92559321
[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 92559323
1-[2-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 110240903
1-[(2S)-2-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 92557746
1-[(2R)-2-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 92549702
(4S)-4-[(2R)-2-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 92549527

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The IUPAC name of 1-[2-[(2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (CID 92559335) is 1-[2-[(2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 1-[2-[(2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The canonical SMILES for 1-[2-[(2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is CC(=O)N1CCc2nc([C@@H]3CCCN3C(=O)c3ccc(C)s3)ncc2C1.
What is the InChIKey of 1-[2-[(2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The InChIKey is PMPGPPJIXXOHGB-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-12-5-6-17(26-12)19(25)23-8-3-4-16(23)18-20-10-14-11-22(13(2)24)9-7-15(14)21-18/h5-6,10,16H,3-4,7-9,11H2,1-2H3/t16-/m0/s1.
What are the key properties of 1-[2-[(2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
1-[2-[(2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 370.48 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 92559335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).