4,6-dimethyl-3-(1-methylpyrazol-4-yl)-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide

C17H20N4OS — CID 123338732

IUPAC4,6-dimethyl-3-(1-methylpyrazol-4-yl)-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(-c3cnn(C)c3)c(C(=O)NC(C)C)sc2n1
InChIInChI=1S/C17H20N4OS/c1-9(2)19-16(22)15-14(12-7-18-21(5)8-12)13-10(3)6-11(4)20-17(13)23-15/h6-9H,1-5H3,(H,19,22)
InChIKeyJYCVPHKVHZYVQG-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.45
Rot. Bonds3

About 4,6-dimethyl-3-(1-methylpyrazol-4-yl)-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide

4,6-dimethyl-3-(1-methylpyrazol-4-yl)-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 123338732) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 4,6-dimethyl-3-(1-methylpyrazol-4-yl)-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-3-(1-methylpyrazol-4-yl)-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID123338732
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name4,6-dimethyl-3-(1-methylpyrazol-4-yl)-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(-c3cnn(C)c3)c(C(=O)NC(C)C)sc2n1
InChIInChI=1S/C17H20N4OS/c1-9(2)19-16(22)15-14(12-7-18-21(5)8-12)13-10(3)6-11(4)20-17(13)23-15/h6-9H,1-5H3,(H,19,22)
InChIKeyJYCVPHKVHZYVQG-UHFFFAOYSA-N
XLogP3.45
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-(1-methylpyrazol-4-yl)-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4,6-dimethyl-3-(1-methylpyrazol-4-yl)-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide (CID 123338732) is 4,6-dimethyl-3-(1-methylpyrazol-4-yl)-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4,6-dimethyl-3-(1-methylpyrazol-4-yl)-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4,6-dimethyl-3-(1-methylpyrazol-4-yl)-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C)c2c(-c3cnn(C)c3)c(C(=O)NC(C)C)sc2n1.
What is the InChIKey of 4,6-dimethyl-3-(1-methylpyrazol-4-yl)-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is JYCVPHKVHZYVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-9(2)19-16(22)15-14(12-7-18-21(5)8-12)13-10(3)6-11(4)20-17(13)23-15/h6-9H,1-5H3,(H,19,22).
What are the key properties of 4,6-dimethyl-3-(1-methylpyrazol-4-yl)-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
4,6-dimethyl-3-(1-methylpyrazol-4-yl)-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-(1-methylpyrazol-4-yl)-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 123338732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).