5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione

C22H26N4O3S — CID 39686372

IUPAC5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCc4sccc4C3)cc(C(C)C)nc21
InChIInChI=1S/C22H26N4O3S/c1-12(2)10-26-19-18(20(27)24-22(26)29)15(9-16(23-19)13(3)4)21(28)25-7-5-17-14(11-25)6-8-30-17/h6,8-9,12-13H,5,7,10-11H2,1-4H3,(H,24,27,29)
InChIKeyDJMBLXJOCLRGCX-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.12
Rot. Bonds4

About 5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione

5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 39686372) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is 5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID39686372
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Name5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCc4sccc4C3)cc(C(C)C)nc21
InChIInChI=1S/C22H26N4O3S/c1-12(2)10-26-19-18(20(27)24-22(26)29)15(9-16(23-19)13(3)4)21(28)25-7-5-17-14(11-25)6-8-30-17/h6,8-9,12-13H,5,7,10-11H2,1-4H3,(H,24,27,29)
InChIKeyDJMBLXJOCLRGCX-UHFFFAOYSA-N
XLogP3.12
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

N-[2-[1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide
CID 166323090
5-(3-methylpiperazine-1-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride
CID 119576449
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 52649591
ethyl 1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17413883
N-(2-aminoethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 119382183
N-(cyclopropylmethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 37036301
1-ethyl-5-[4-(methylamino)piperidine-1-carbonyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 119563336
1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylic acid
CID 18802061
N-(4-chloro-2-methylphenyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39676176
N-[(2R)-2-(ethylamino)propyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
CID 120654752
5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1-ethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride
CID 119486618
N-(1H-indazol-6-yl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 47092105

Frequently Asked Questions

What is the IUPAC name of 5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione (CID 39686372) is 5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione is CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCc4sccc4C3)cc(C(C)C)nc21.
What is the InChIKey of 5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is DJMBLXJOCLRGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-12(2)10-26-19-18(20(27)24-22(26)29)15(9-16(23-19)13(3)4)21(28)25-7-5-17-14(11-25)6-8-30-17/h6,8-9,12-13H,5,7,10-11H2,1-4H3,(H,24,27,29).
What are the key properties of 5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 426.54 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 39686372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).