[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone

C23H26N4OS — CID 112835735

IUPAC[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1cccc2c1N(C(=O)C1CCN(c3ncnc4sc(C)c(C)c34)CC1)CC2
InChIInChI=1S/C23H26N4OS/c1-14-5-4-6-17-9-12-27(20(14)17)23(28)18-7-10-26(11-8-18)21-19-15(2)16(3)29-22(19)25-13-24-21/h4-6,13,18H,7-12H2,1-3H3
InChIKeyKSLMQBHEFNPAFB-UHFFFAOYSA-N
MW406.56 g/mol
LogP4.42
Rot. Bonds2

About [1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone

[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 112835735) has the molecular formula C23H26N4OS and a molecular weight of 406.56 g/mol. Its IUPAC name is [1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID112835735
Molecular FormulaC23H26N4OS
Molecular Weight406.56 g/mol
Exact Mass406.18
IUPAC Name[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1cccc2c1N(C(=O)C1CCN(c3ncnc4sc(C)c(C)c34)CC1)CC2
InChIInChI=1S/C23H26N4OS/c1-14-5-4-6-17-9-12-27(20(14)17)23(28)18-7-10-26(11-8-18)21-19-15(2)16(3)29-22(19)25-13-24-21/h4-6,13,18H,7-12H2,1-3H3
InChIKeyKSLMQBHEFNPAFB-UHFFFAOYSA-N
XLogP4.42
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.56
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(cyclopropanecarbonylamino)phenyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 55573149
N-(4-acetamidophenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 30266901
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methyl-N-phenylpiperidine-4-carboxamide
CID 41466549
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 26448184
N-benzyl-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 9268829
4-(4-bromopiperidin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80673981
3-[[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]propanoic acid
CID 119350896
1,4-diazepan-1-yl-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanone;hydrochloride
CID 119417339
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 30270407
2-(4-methylphenoxy)ethyl 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 7561335
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 18274285
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 112830458

Frequently Asked Questions

What is the IUPAC name of [1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone (CID 112835735) is [1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone is Cc1cccc2c1N(C(=O)C1CCN(c3ncnc4sc(C)c(C)c34)CC1)CC2.
What is the InChIKey of [1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is KSLMQBHEFNPAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4OS/c1-14-5-4-6-17-9-12-27(20(14)17)23(28)18-7-10-26(11-8-18)21-19-15(2)16(3)29-22(19)25-13-24-21/h4-6,13,18H,7-12H2,1-3H3.
What are the key properties of [1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone?
[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 406.56 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 112835735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).