7-cyclopentyl-2-[5-[3-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-7-yl)cyclohexyl]-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one

C33H30N6O2S2 — CID 142506466

IUPAC7-cyclopentyl-2-[5-[3-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-7-yl)cyclohexyl]-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccc(C3CCCC(c4csc5c(=O)[nH]c(-c6ccccn6)nc45)C3)cn2)nc2c(C3CCCC3)csc12
InChIInChI=1S/C33H30N6O2S2/c40-32-28-26(22(16-42-28)18-6-1-2-7-18)36-31(39-32)25-12-11-21(15-35-25)19-8-5-9-20(14-19)23-17-43-29-27(23)37-30(38-33(29)41)24-10-3-4-13-34-24/h3-4,10-13,15-20H,1-2,5-9,14H2,(H,36,39,40)(H,37,38,41)
InChIKeyMWAOIRKAAWKTQC-UHFFFAOYSA-N
MW606.78 g/mol
LogP7.51
Rot. Bonds5

About 7-cyclopentyl-2-[5-[3-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-7-yl)cyclohexyl]-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one

7-cyclopentyl-2-[5-[3-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-7-yl)cyclohexyl]-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 142506466) has the molecular formula C33H30N6O2S2 and a molecular weight of 606.78 g/mol. Its IUPAC name is 7-cyclopentyl-2-[5-[3-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-7-yl)cyclohexyl]-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-cyclopentyl-2-[5-[3-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-7-yl)cyclohexyl]-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID142506466
Molecular FormulaC33H30N6O2S2
Molecular Weight606.78 g/mol
Exact Mass606.19
IUPAC Name7-cyclopentyl-2-[5-[3-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-7-yl)cyclohexyl]-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccc(C3CCCC(c4csc5c(=O)[nH]c(-c6ccccn6)nc45)C3)cn2)nc2c(C3CCCC3)csc12
InChIInChI=1S/C33H30N6O2S2/c40-32-28-26(22(16-42-28)18-6-1-2-7-18)36-31(39-32)25-12-11-21(15-35-25)19-8-5-9-20(14-19)23-17-43-29-27(23)37-30(38-33(29)41)24-10-3-4-13-34-24/h3-4,10-13,15-20H,1-2,5-9,14H2,(H,36,39,40)(H,37,38,41)
InChIKeyMWAOIRKAAWKTQC-UHFFFAOYSA-N
XLogP7.51
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.78
LogP ≤ 57.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-cyclopentyl-2-[5-[3-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-7-yl)cyclohexyl]-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

Benzothienopyrimidinone deriv., 16a
CID 135927963
Antimicrobial agent-21
CID 852961
6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2099944
5-Pyridin-2-yl-8-thia-4,6-diazatricyclo[7.6.0.02,7]pentadeca-1(9),2(7),5-trien-3-one
CID 72196543
6-pyridin-4-yl-2-(pyrrolidin-1-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 137648287
5-phenyl-2-(2-pyridinyl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 852973
2-[4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-3-methyl-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137049193
2-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-3-methyl-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137049206
2-[4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137049240
2-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137049244
N-(3-aminopropyl)-4-methyl-N-[1-[4-oxo-3-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]propyl]benzamide
CID 54757416
6-(1-benzylindol-3-yl)-2-(piperidin-1-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 136227998

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-2-[5-[3-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-7-yl)cyclohexyl]-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-cyclopentyl-2-[5-[3-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-7-yl)cyclohexyl]-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one (CID 142506466) is 7-cyclopentyl-2-[5-[3-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-7-yl)cyclohexyl]-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-cyclopentyl-2-[5-[3-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-7-yl)cyclohexyl]-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-cyclopentyl-2-[5-[3-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-7-yl)cyclohexyl]-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one is O=c1[nH]c(-c2ccc(C3CCCC(c4csc5c(=O)[nH]c(-c6ccccn6)nc45)C3)cn2)nc2c(C3CCCC3)csc12.
What is the InChIKey of 7-cyclopentyl-2-[5-[3-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-7-yl)cyclohexyl]-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is MWAOIRKAAWKTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N6O2S2/c40-32-28-26(22(16-42-28)18-6-1-2-7-18)36-31(39-32)25-12-11-21(15-35-25)19-8-5-9-20(14-19)23-17-43-29-27(23)37-30(38-33(29)41)24-10-3-4-13-34-24/h3-4,10-13,15-20H,1-2,5-9,14H2,(H,36,39,40)(H,37,38,41).
What are the key properties of 7-cyclopentyl-2-[5-[3-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-7-yl)cyclohexyl]-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one?
7-cyclopentyl-2-[5-[3-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-7-yl)cyclohexyl]-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 606.78 g/mol, XLogP of 7.51, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-2-[5-[3-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-7-yl)cyclohexyl]-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 142506466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).