2-[4,5-dimethyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]thieno[2,3-b]pyridine

C18H16N4S — CID 166112324

IUPAC2-[4,5-dimethyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]thieno[2,3-b]pyridine
SMILESCc1cccc(-n2nc(C)c(C)c2-c2cc3cccnc3s2)n1
InChIInChI=1S/C18H16N4S/c1-11-6-4-8-16(20-11)22-17(12(2)13(3)21-22)15-10-14-7-5-9-19-18(14)23-15/h4-10H,1-3H3
InChIKeyPKXOPOZNMQZGMR-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.47
Rot. Bonds2

About 2-[4,5-dimethyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]thieno[2,3-b]pyridine

2-[4,5-dimethyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]thieno[2,3-b]pyridine (PubChem CID 166112324) has the molecular formula C18H16N4S and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-[4,5-dimethyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]thieno[2,3-b]pyridine.

Molecular Properties

Compound Name2-[4,5-dimethyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]thieno[2,3-b]pyridine
PubChem CID166112324
Molecular FormulaC18H16N4S
Molecular Weight320.42 g/mol
Exact Mass320.11
IUPAC Name2-[4,5-dimethyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]thieno[2,3-b]pyridine
SMILESCc1cccc(-n2nc(C)c(C)c2-c2cc3cccnc3s2)n1
InChIInChI=1S/C18H16N4S/c1-11-6-4-8-16(20-11)22-17(12(2)13(3)21-22)15-10-14-7-5-9-19-18(14)23-15/h4-10H,1-3H3
InChIKeyPKXOPOZNMQZGMR-UHFFFAOYSA-N
XLogP4.47
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4,5-dimethyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]thieno[2,3-b]pyridine?
The IUPAC name of 2-[4,5-dimethyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]thieno[2,3-b]pyridine (CID 166112324) is 2-[4,5-dimethyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]thieno[2,3-b]pyridine.
What is the SMILES notation for 2-[4,5-dimethyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]thieno[2,3-b]pyridine?
The canonical SMILES for 2-[4,5-dimethyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]thieno[2,3-b]pyridine is Cc1cccc(-n2nc(C)c(C)c2-c2cc3cccnc3s2)n1.
What is the InChIKey of 2-[4,5-dimethyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]thieno[2,3-b]pyridine?
The InChIKey is PKXOPOZNMQZGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4S/c1-11-6-4-8-16(20-11)22-17(12(2)13(3)21-22)15-10-14-7-5-9-19-18(14)23-15/h4-10H,1-3H3.
What are the key properties of 2-[4,5-dimethyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]thieno[2,3-b]pyridine?
2-[4,5-dimethyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]thieno[2,3-b]pyridine has a molecular weight of 320.42 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-dimethyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]thieno[2,3-b]pyridine is sourced from PubChem (CID 166112324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).