7-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C21H21N5O3S — CID 137223307

IUPAC7-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C21H21N5O3S/c27-16-5-3-9-26(16)13-6-10-25(11-7-13)21(29)14-12-30-18-17(14)23-19(24-20(18)28)15-4-1-2-8-22-15/h1-2,4,8,12-13H,3,5-7,9-11H2,(H,23,24,28)
InChIKeyFLMQCWTUZLSVHK-UHFFFAOYSA-N
MW423.50 g/mol
LogP2.27
Rot. Bonds3

About 7-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

7-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137223307) has the molecular formula C21H21N5O3S and a molecular weight of 423.50 g/mol. Its IUPAC name is 7-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137223307
Molecular FormulaC21H21N5O3S
Molecular Weight423.50 g/mol
Exact Mass423.14
IUPAC Name7-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C21H21N5O3S/c27-16-5-3-9-26(16)13-6-10-25(11-7-13)21(29)14-12-30-18-17(14)23-19(24-20(18)28)15-4-1-2-8-22-15/h1-2,4,8,12-13H,3,5-7,9-11H2,(H,23,24,28)
InChIKeyFLMQCWTUZLSVHK-UHFFFAOYSA-N
XLogP2.27
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 137223307) is 7-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCC(N2CCCC2=O)CC1.
What is the InChIKey of 7-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is FLMQCWTUZLSVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3S/c27-16-5-3-9-26(16)13-6-10-25(11-7-13)21(29)14-12-30-18-17(14)23-19(24-20(18)28)15-4-1-2-8-22-15/h1-2,4,8,12-13H,3,5-7,9-11H2,(H,23,24,28).
What are the key properties of 7-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
7-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 423.50 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137223307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).