methyl 2-[(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate

C23H22N4O3S — CID 167879535

IUPACmethyl 2-[(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1c(Cn2cnc3sc(-c4ccccc4)c(C)c3c2=O)nn2c1CCCC2
InChIInChI=1S/C23H22N4O3S/c1-14-18-21(31-20(14)15-8-4-3-5-9-15)24-13-26(22(18)28)12-16-19(23(29)30-2)17-10-6-7-11-27(17)25-16/h3-5,8-9,13H,6-7,10-12H2,1-2H3
InChIKeyUIZUIVPQBYUGQX-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.80
Rot. Bonds4

About methyl 2-[(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate

methyl 2-[(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 167879535) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is methyl 2-[(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID167879535
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC Namemethyl 2-[(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1c(Cn2cnc3sc(-c4ccccc4)c(C)c3c2=O)nn2c1CCCC2
InChIInChI=1S/C23H22N4O3S/c1-14-18-21(31-20(14)15-8-4-3-5-9-15)24-13-26(22(18)28)12-16-19(23(29)30-2)17-10-6-7-11-27(17)25-16/h3-5,8-9,13H,6-7,10-12H2,1-2H3
InChIKeyUIZUIVPQBYUGQX-UHFFFAOYSA-N
XLogP3.80
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-[(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate with MolForge

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Related Compounds

5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 7889105
N-(4-methoxyphenyl)-4-[(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]benzamide
CID 24558348
N,N-bis(2-methoxyethyl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7518844
5-methyl-3-[(4-methylsulfanylphenyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 7609415
3-[(6-chloro-3-pyridinyl)methyl]-5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 38973161
3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 7889077
2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 41215663
N-(2,5-dimethylpyrazol-3-yl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 51288176
1-[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]piperidine-3-carboxamide
CID 42952360
5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 32925031
2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-methylsulfonylphenyl)acetamide
CID 24500038
5-methyl-3-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 17398834

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate (CID 167879535) is methyl 2-[(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate is COC(=O)c1c(Cn2cnc3sc(-c4ccccc4)c(C)c3c2=O)nn2c1CCCC2.
What is the InChIKey of methyl 2-[(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is UIZUIVPQBYUGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-14-18-21(31-20(14)15-8-4-3-5-9-15)24-13-26(22(18)28)12-16-19(23(29)30-2)17-10-6-7-11-27(17)25-16/h3-5,8-9,13H,6-7,10-12H2,1-2H3.
What are the key properties of methyl 2-[(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
methyl 2-[(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 434.52 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 167879535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).