ethyl 1-[6-(6-fluoro-1-benzothiophene-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate

C24H25FN4O3S — CID 53373624

IUPACethyl 1-[6-(6-fluoro-1-benzothiophene-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ncnc3c2CN(C(=O)c2cc4ccc(F)cc4s2)CC3)CC1
InChIInChI=1S/C24H25FN4O3S/c1-2-32-24(31)15-5-8-28(9-6-15)22-18-13-29(10-7-19(18)26-14-27-22)23(30)21-11-16-3-4-17(25)12-20(16)33-21/h3-4,11-12,14-15H,2,5-10,13H2,1H3
InChIKeyULZFINXVJCAIRR-UHFFFAOYSA-N
MW468.55 g/mol
LogP3.81
Rot. Bonds4

About ethyl 1-[6-(6-fluoro-1-benzothiophene-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate

ethyl 1-[6-(6-fluoro-1-benzothiophene-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate (PubChem CID 53373624) has the molecular formula C24H25FN4O3S and a molecular weight of 468.55 g/mol. Its IUPAC name is ethyl 1-[6-(6-fluoro-1-benzothiophene-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[6-(6-fluoro-1-benzothiophene-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate
PubChem CID53373624
Molecular FormulaC24H25FN4O3S
Molecular Weight468.55 g/mol
Exact Mass468.16
IUPAC Nameethyl 1-[6-(6-fluoro-1-benzothiophene-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ncnc3c2CN(C(=O)c2cc4ccc(F)cc4s2)CC3)CC1
InChIInChI=1S/C24H25FN4O3S/c1-2-32-24(31)15-5-8-28(9-6-15)22-18-13-29(10-7-19(18)26-14-27-22)23(30)21-11-16-3-4-17(25)12-20(16)33-21/h3-4,11-12,14-15H,2,5-10,13H2,1H3
InChIKeyULZFINXVJCAIRR-UHFFFAOYSA-N
XLogP3.81
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[6-(6-fluoro-1-benzothiophene-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 1-[6-[2-(dimethylamino)-4-hydroxybenzoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate
CID 53373627
ethyl 1-[6-[4-(2-chlorophenyl)benzoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate
CID 53374756
ethyl 1-(6-quinolin-7-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 53375139
[1-[6-(4-phenylbenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-yl]methyl cyclopropanecarboxylate
CID 53374555
ethyl 1-[7,7-dimethyl-6-(4-phenylbenzoyl)-5,8-dihydropyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate
CID 53374171
ethyl 1-[6-(3-ethoxy-3-oxopropanoyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate
CID 5260796
1-(6-fluoro-1-benzothiophene-2-carbonyl)piperidine-3-carbothioamide
CID 81115576
ethyl 1-(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carboxylate
CID 2326599
ethyl 1-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]piperidine-4-carboxylate
CID 19142167
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 81105088
ethyl 1-[(5-fluoro-1-benzothiophen-2-yl)methylcarbamoyl]piperidine-4-carboxylate
CID 60562915
ethyl 1-(2-cyano-5-fluorophenyl)piperidine-4-carboxylate
CID 171316298

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[6-(6-fluoro-1-benzothiophene-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[6-(6-fluoro-1-benzothiophene-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate (CID 53373624) is ethyl 1-[6-(6-fluoro-1-benzothiophene-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[6-(6-fluoro-1-benzothiophene-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[6-(6-fluoro-1-benzothiophene-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2ncnc3c2CN(C(=O)c2cc4ccc(F)cc4s2)CC3)CC1.
What is the InChIKey of ethyl 1-[6-(6-fluoro-1-benzothiophene-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate?
The InChIKey is ULZFINXVJCAIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3S/c1-2-32-24(31)15-5-8-28(9-6-15)22-18-13-29(10-7-19(18)26-14-27-22)23(30)21-11-16-3-4-17(25)12-20(16)33-21/h3-4,11-12,14-15H,2,5-10,13H2,1H3.
What are the key properties of ethyl 1-[6-(6-fluoro-1-benzothiophene-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate?
ethyl 1-[6-(6-fluoro-1-benzothiophene-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate has a molecular weight of 468.55 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[6-(6-fluoro-1-benzothiophene-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate is sourced from PubChem (CID 53373624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).