8-ethyl-4-methyl-2-methylsulfanyl-6-(4-propyl-1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one

C17H21N5OS — CID 143442587

IUPAC8-ethyl-4-methyl-2-methylsulfanyl-6-(4-propyl-1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCCCc1cn[nH]c1-c1cc2c(C)nc(SC)nc2n(CC)c1=O
InChIInChI=1S/C17H21N5OS/c1-5-7-11-9-18-21-14(11)13-8-12-10(3)19-17(24-4)20-15(12)22(6-2)16(13)23/h8-9H,5-7H2,1-4H3,(H,18,21)
InChIKeyFVFLOQRWIMRUQY-UHFFFAOYSA-N
MW343.46 g/mol
LogP3.18
Rot. Bonds5

About 8-ethyl-4-methyl-2-methylsulfanyl-6-(4-propyl-1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one

8-ethyl-4-methyl-2-methylsulfanyl-6-(4-propyl-1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 143442587) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is 8-ethyl-4-methyl-2-methylsulfanyl-6-(4-propyl-1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-ethyl-4-methyl-2-methylsulfanyl-6-(4-propyl-1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID143442587
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name8-ethyl-4-methyl-2-methylsulfanyl-6-(4-propyl-1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCCCc1cn[nH]c1-c1cc2c(C)nc(SC)nc2n(CC)c1=O
InChIInChI=1S/C17H21N5OS/c1-5-7-11-9-18-21-14(11)13-8-12-10(3)19-17(24-4)20-15(12)22(6-2)16(13)23/h8-9H,5-7H2,1-4H3,(H,18,21)
InChIKeyFVFLOQRWIMRUQY-UHFFFAOYSA-N
XLogP3.18
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-4-methyl-2-methylsulfanyl-6-(4-propyl-1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-ethyl-4-methyl-2-methylsulfanyl-6-(4-propyl-1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one (CID 143442587) is 8-ethyl-4-methyl-2-methylsulfanyl-6-(4-propyl-1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-ethyl-4-methyl-2-methylsulfanyl-6-(4-propyl-1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-ethyl-4-methyl-2-methylsulfanyl-6-(4-propyl-1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one is CCCc1cn[nH]c1-c1cc2c(C)nc(SC)nc2n(CC)c1=O.
What is the InChIKey of 8-ethyl-4-methyl-2-methylsulfanyl-6-(4-propyl-1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is FVFLOQRWIMRUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-5-7-11-9-18-21-14(11)13-8-12-10(3)19-17(24-4)20-15(12)22(6-2)16(13)23/h8-9H,5-7H2,1-4H3,(H,18,21).
What are the key properties of 8-ethyl-4-methyl-2-methylsulfanyl-6-(4-propyl-1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one?
8-ethyl-4-methyl-2-methylsulfanyl-6-(4-propyl-1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 343.46 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-4-methyl-2-methylsulfanyl-6-(4-propyl-1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 143442587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).