1-cyclopropyl-6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione

C20H20N4O3S — CID 46442239

IUPAC1-cyclopropyl-6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCC1c2ccsc2CCN1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1
InChIInChI=1S/C20H20N4O3S/c1-2-15-13-6-8-28-16(13)5-7-23(15)19(26)11-9-14-17(21-10-11)24(12-3-4-12)20(27)22-18(14)25/h6,8-10,12,15H,2-5,7H2,1H3,(H,22,25,27)
InChIKeyOPKYICGEVYPXKF-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.63
Rot. Bonds3

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

1-cyclopropyl-6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 46442239) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 1-cyclopropyl-6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-cyclopropyl-6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID46442239
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name1-cyclopropyl-6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCC1c2ccsc2CCN1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1
InChIInChI=1S/C20H20N4O3S/c1-2-15-13-6-8-28-16(13)5-7-23(15)19(26)11-9-14-17(21-10-11)24(12-3-4-12)20(27)22-18(14)25/h6,8-10,12,15H,2-5,7H2,1H3,(H,22,25,27)
InChIKeyOPKYICGEVYPXKF-UHFFFAOYSA-N
XLogP2.63
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-cyclopropyl-6-(4-ethyl-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

(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 126768776
(6-chloro-3-pyridinyl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 47120174
1-cyclopropyl-6-(2,4-dimethylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 71877387
(3,5-diaminophenyl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 61107490
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-fluoro-4-pyridinyl)methanone
CID 61293484
(2-chloro-4-pyridinyl)-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 93418573
(3,5-dimethoxyphenyl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 17465789
(4-bromo-3,5-dimethoxyphenyl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 46442107
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-fluorophenyl)methanone
CID 18093063
1-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 37155718
1-cyclopropyl-N-(4-ethoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 36705199
5-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103696371

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-cyclopropyl-6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 46442239) is 1-cyclopropyl-6-(4-ethyl-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-cyclopropyl-6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-cyclopropyl-6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione is CCC1c2ccsc2CCN1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1.
What is the InChIKey of 1-cyclopropyl-6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is OPKYICGEVYPXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-2-15-13-6-8-28-16(13)5-7-23(15)19(26)11-9-14-17(21-10-11)24(12-3-4-12)20(27)22-18(14)25/h6,8-10,12,15H,2-5,7H2,1H3,(H,22,25,27).
What are the key properties of 1-cyclopropyl-6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione?
1-cyclopropyl-6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 396.47 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 46442239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).