1,3-dimethyl-6-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione

C21H18N4O3S2 — CID 51931006

IUPAC1,3-dimethyl-6-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2cc(C(=O)N3CCc4sccc4[C@@H]3c3cccs3)cnc2n(C)c1=O
InChIInChI=1S/C21H18N4O3S2/c1-23-18-14(20(27)24(2)21(23)28)10-12(11-22-18)19(26)25-7-5-15-13(6-9-30-15)17(25)16-4-3-8-29-16/h3-4,6,8-11,17H,5,7H2,1-2H3/t17-/m1/s1
InChIKeyVBQSNAADKPRDDB-QGZVFWFLSA-N
MW438.53 g/mol
LogP2.54
Rot. Bonds2

About 1,3-dimethyl-6-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione

1,3-dimethyl-6-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 51931006) has the molecular formula C21H18N4O3S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 1,3-dimethyl-6-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID51931006
Molecular FormulaC21H18N4O3S2
Molecular Weight438.53 g/mol
Exact Mass438.08
IUPAC Name1,3-dimethyl-6-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2cc(C(=O)N3CCc4sccc4[C@@H]3c3cccs3)cnc2n(C)c1=O
InChIInChI=1S/C21H18N4O3S2/c1-23-18-14(20(27)24(2)21(23)28)10-12(11-22-18)19(26)25-7-5-15-13(6-9-30-15)17(25)16-4-3-8-29-16/h3-4,6,8-11,17H,5,7H2,1-2H3/t17-/m1/s1
InChIKeyVBQSNAADKPRDDB-QGZVFWFLSA-N
XLogP2.54
TPSA77.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1,3-dimethyl-6-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

(5-bromo-3-pyridinyl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 18125753
(4-methylphenyl)-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9074460
(3,5-difluorophenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9075024
methyl 4-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzoate
CID 9075048
(3,4-difluorophenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9074636
3-methyl-2-[3-oxo-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinazolin-4-one
CID 17494738
1-[5-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 9075582
1-[[3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]methyl]pyrrolidin-2-one
CID 55430116
1-ethyl-3-methyl-6-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)quinoxalin-2-one
CID 42887482
(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 33171337
(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9075490
(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9075494

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 51931006) is 1,3-dimethyl-6-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2cc(C(=O)N3CCc4sccc4[C@@H]3c3cccs3)cnc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is VBQSNAADKPRDDB-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H18N4O3S2/c1-23-18-14(20(27)24(2)21(23)28)10-12(11-22-18)19(26)25-7-5-15-13(6-9-30-15)17(25)16-4-3-8-29-16/h3-4,6,8-11,17H,5,7H2,1-2H3/t17-/m1/s1.
What are the key properties of 1,3-dimethyl-6-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione?
1,3-dimethyl-6-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 438.53 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 51931006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).