[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanone

C26H32N4O3S — CID 55396763

IUPAC[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanone
SMILESCOc1ccc(C2CCCN2C(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)c(OC)c1
InChIInChI=1S/C26H32N4O3S/c1-16-17(2)34-25-23(16)24(27-15-28-25)29-12-9-18(10-13-29)26(31)30-11-5-6-21(30)20-8-7-19(32-3)14-22(20)33-4/h7-8,14-15,18,21H,5-6,9-13H2,1-4H3
InChIKeyIGWIQMBFVRNFCN-UHFFFAOYSA-N
MW480.63 g/mol
LogP4.91
Rot. Bonds5

About [2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanone

[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanone (PubChem CID 55396763) has the molecular formula C26H32N4O3S and a molecular weight of 480.63 g/mol. Its IUPAC name is [2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanone
PubChem CID55396763
Molecular FormulaC26H32N4O3S
Molecular Weight480.63 g/mol
Exact Mass480.22
IUPAC Name[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanone
SMILESCOc1ccc(C2CCCN2C(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)c(OC)c1
InChIInChI=1S/C26H32N4O3S/c1-16-17(2)34-25-23(16)24(27-15-28-25)29-12-9-18(10-13-29)26(31)30-11-5-6-21(30)20-8-7-19(32-3)14-22(20)33-4/h7-8,14-15,18,21H,5-6,9-13H2,1-4H3
InChIKeyIGWIQMBFVRNFCN-UHFFFAOYSA-N
XLogP4.91
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
CID 55395860
methyl 1-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxylate
CID 112809207
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-[2-(4-methoxyphenoxy)acetyl]piperidine-4-carbohydrazide
CID 25162448
ethyl 4-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 42920226
[2-(3-methoxyanilino)-2-oxoethyl] 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 55373611
N-(3-chloro-4-methoxyphenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 30274478
[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 51595974
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 73440076
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 55573149
[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone
CID 112835735
2-(4-methylphenoxy)ethyl 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 7561335
N-(4-acetamidophenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 30266901

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanone?
The IUPAC name of [2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanone (CID 55396763) is [2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanone.
What is the SMILES notation for [2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanone?
The canonical SMILES for [2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanone is COc1ccc(C2CCCN2C(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanone?
The InChIKey is IGWIQMBFVRNFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3S/c1-16-17(2)34-25-23(16)24(27-15-28-25)29-12-9-18(10-13-29)26(31)30-11-5-6-21(30)20-8-7-19(32-3)14-22(20)33-4/h7-8,14-15,18,21H,5-6,9-13H2,1-4H3.
What are the key properties of [2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanone?
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanone has a molecular weight of 480.63 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 55396763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).