5-methyl-6-[(2S)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one

C19H18N6O3S — CID 98061913

IUPAC5-methyl-6-[(2S)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1cc(=O)n2[nH]c([C@@H]3CCCN3C(=O)c3sc4nc[nH]c(=O)c4c3C)cc2n1
InChIInChI=1S/C19H18N6O3S/c1-9-6-14(26)25-13(22-9)7-11(23-25)12-4-3-5-24(12)19(28)16-10(2)15-17(27)20-8-21-18(15)29-16/h6-8,12,23H,3-5H2,1-2H3,(H,20,21,27)/t12-/m0/s1
InChIKeyWKILMOAMLJNMOF-LBPRGKRZSA-N
MW410.46 g/mol
LogP1.91
Rot. Bonds2

About 5-methyl-6-[(2S)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one

5-methyl-6-[(2S)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 98061913) has the molecular formula C19H18N6O3S and a molecular weight of 410.46 g/mol. Its IUPAC name is 5-methyl-6-[(2S)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-6-[(2S)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID98061913
Molecular FormulaC19H18N6O3S
Molecular Weight410.46 g/mol
Exact Mass410.12
IUPAC Name5-methyl-6-[(2S)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1cc(=O)n2[nH]c([C@@H]3CCCN3C(=O)c3sc4nc[nH]c(=O)c4c3C)cc2n1
InChIInChI=1S/C19H18N6O3S/c1-9-6-14(26)25-13(22-9)7-11(23-25)12-4-3-5-24(12)19(28)16-10(2)15-17(27)20-8-21-18(15)29-16/h6-8,12,23H,3-5H2,1-2H3,(H,20,21,27)/t12-/m0/s1
InChIKeyWKILMOAMLJNMOF-LBPRGKRZSA-N
XLogP1.91
TPSA116.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-methyl-6-[(2S)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

5-methyl-6-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 126437388
5-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110216039
5-methyl-2-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214767
6-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 74238277
5-methyl-2-[1-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110215318
ethyl 2-[1-(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)piperidin-2-yl]acetate
CID 56912268
2-[1-[2-(2-fluorophenyl)acetyl]pyrrolidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214771
5-methyl-2-[(2R)-1-(5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 92553378
2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98061474
5,6-dimethyl-2-[1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214727
6-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-2,5-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 46974999
2-[1-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214796

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[(2S)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-methyl-6-[(2S)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one (CID 98061913) is 5-methyl-6-[(2S)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-6-[(2S)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-methyl-6-[(2S)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one is Cc1cc(=O)n2[nH]c([C@@H]3CCCN3C(=O)c3sc4nc[nH]c(=O)c4c3C)cc2n1.
What is the InChIKey of 5-methyl-6-[(2S)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is WKILMOAMLJNMOF-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18N6O3S/c1-9-6-14(26)25-13(22-9)7-11(23-25)12-4-3-5-24(12)19(28)16-10(2)15-17(27)20-8-21-18(15)29-16/h6-8,12,23H,3-5H2,1-2H3,(H,20,21,27)/t12-/m0/s1.
What are the key properties of 5-methyl-6-[(2S)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one?
5-methyl-6-[(2S)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 410.46 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[(2S)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 98061913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).