(3R)-1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylic acid

C19H19N3O3S — CID 2509845

IUPAC(3R)-1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylic acid
SMILESCOc1ccc(-c2csc3ncnc(N4CCC[C@@H](C(=O)O)C4)c23)cc1
InChIInChI=1S/C19H19N3O3S/c1-25-14-6-4-12(5-7-14)15-10-26-18-16(15)17(20-11-21-18)22-8-2-3-13(9-22)19(23)24/h4-7,10-11,13H,2-3,8-9H2,1H3,(H,23,24)/t13-/m1/s1
InChIKeyIZDHALAILVWJKW-CYBMUJFWSA-N
MW369.45 g/mol
LogP3.67
Rot. Bonds4

About (3R)-1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylic acid

(3R)-1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylic acid (PubChem CID 2509845) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is (3R)-1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylic acid
PubChem CID2509845
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name(3R)-1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylic acid
SMILESCOc1ccc(-c2csc3ncnc(N4CCC[C@@H](C(=O)O)C4)c23)cc1
InChIInChI=1S/C19H19N3O3S/c1-25-14-6-4-12(5-7-14)15-10-26-18-16(15)17(20-11-21-18)22-8-2-3-13(9-22)19(23)24/h4-7,10-11,13H,2-3,8-9H2,1H3,(H,23,24)/t13-/m1/s1
InChIKeyIZDHALAILVWJKW-CYBMUJFWSA-N
XLogP3.67
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 2457611
5-(4-methoxyphenyl)-4-(4-methyl-1,4-diazepan-1-yl)thieno[2,3-d]pyrimidine
CID 17441653
5-(4-methoxyphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)thieno[2,3-d]pyrimidine
CID 8894309
4-(4-benzylpiperazin-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine
CID 1189434
1-(6-methoxyquinazolin-4-yl)piperidine-3-carboxylic acid
CID 21002829
4-(azepan-1-yl)-5-phenylthieno[2,3-d]pyrimidine
CID 758218
[(3R)-1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 94381226
ethyl 1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate
CID 9280165
(3R)-1-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 2509943
(3S)-1-[6-(4-methoxyanilino)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 99975929
5-(4-methylphenyl)-4-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 95576399
11-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]-3,8-dioxa-11-azaspiro[5.6]dodecane
CID 139002066

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylic acid (CID 2509845) is (3R)-1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylic acid is COc1ccc(-c2csc3ncnc(N4CCC[C@@H](C(=O)O)C4)c23)cc1.
What is the InChIKey of (3R)-1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylic acid?
The InChIKey is IZDHALAILVWJKW-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-25-14-6-4-12(5-7-14)15-10-26-18-16(15)17(20-11-21-18)22-8-2-3-13(9-22)19(23)24/h4-7,10-11,13H,2-3,8-9H2,1H3,(H,23,24)/t13-/m1/s1.
What are the key properties of (3R)-1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylic acid?
(3R)-1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylic acid has a molecular weight of 369.45 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylic acid is sourced from PubChem (CID 2509845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).