N-(1,4-dimethylpyrazol-3-yl)-3-pyridin-4-ylthieno[3,2-b]pyridin-5-amine

C17H15N5S — CID 171934759

IUPACN-(1,4-dimethylpyrazol-3-yl)-3-pyridin-4-ylthieno[3,2-b]pyridin-5-amine
SMILESCc1cn(C)nc1Nc1ccc2scc(-c3ccncc3)c2n1
InChIInChI=1S/C17H15N5S/c1-11-9-22(2)21-17(11)20-15-4-3-14-16(19-15)13(10-23-14)12-5-7-18-8-6-12/h3-10H,1-2H3,(H,19,20,21)
InChIKeyWEAHBTIIZJSGDN-UHFFFAOYSA-N
MW321.41 g/mol
LogP4.14
Rot. Bonds3

About N-(1,4-dimethylpyrazol-3-yl)-3-pyridin-4-ylthieno[3,2-b]pyridin-5-amine

N-(1,4-dimethylpyrazol-3-yl)-3-pyridin-4-ylthieno[3,2-b]pyridin-5-amine (PubChem CID 171934759) has the molecular formula C17H15N5S and a molecular weight of 321.41 g/mol. Its IUPAC name is N-(1,4-dimethylpyrazol-3-yl)-3-pyridin-4-ylthieno[3,2-b]pyridin-5-amine.

Molecular Properties

Compound NameN-(1,4-dimethylpyrazol-3-yl)-3-pyridin-4-ylthieno[3,2-b]pyridin-5-amine
PubChem CID171934759
Molecular FormulaC17H15N5S
Molecular Weight321.41 g/mol
Exact Mass321.10
IUPAC NameN-(1,4-dimethylpyrazol-3-yl)-3-pyridin-4-ylthieno[3,2-b]pyridin-5-amine
SMILESCc1cn(C)nc1Nc1ccc2scc(-c3ccncc3)c2n1
InChIInChI=1S/C17H15N5S/c1-11-9-22(2)21-17(11)20-15-4-3-14-16(19-15)13(10-23-14)12-5-7-18-8-6-12/h3-10H,1-2H3,(H,19,20,21)
InChIKeyWEAHBTIIZJSGDN-UHFFFAOYSA-N
XLogP4.14
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethylpyrazol-3-yl)-3-pyridin-4-ylthieno[3,2-b]pyridin-5-amine?
The IUPAC name of N-(1,4-dimethylpyrazol-3-yl)-3-pyridin-4-ylthieno[3,2-b]pyridin-5-amine (CID 171934759) is N-(1,4-dimethylpyrazol-3-yl)-3-pyridin-4-ylthieno[3,2-b]pyridin-5-amine.
What is the SMILES notation for N-(1,4-dimethylpyrazol-3-yl)-3-pyridin-4-ylthieno[3,2-b]pyridin-5-amine?
The canonical SMILES for N-(1,4-dimethylpyrazol-3-yl)-3-pyridin-4-ylthieno[3,2-b]pyridin-5-amine is Cc1cn(C)nc1Nc1ccc2scc(-c3ccncc3)c2n1.
What is the InChIKey of N-(1,4-dimethylpyrazol-3-yl)-3-pyridin-4-ylthieno[3,2-b]pyridin-5-amine?
The InChIKey is WEAHBTIIZJSGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5S/c1-11-9-22(2)21-17(11)20-15-4-3-14-16(19-15)13(10-23-14)12-5-7-18-8-6-12/h3-10H,1-2H3,(H,19,20,21).
What are the key properties of N-(1,4-dimethylpyrazol-3-yl)-3-pyridin-4-ylthieno[3,2-b]pyridin-5-amine?
N-(1,4-dimethylpyrazol-3-yl)-3-pyridin-4-ylthieno[3,2-b]pyridin-5-amine has a molecular weight of 321.41 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethylpyrazol-3-yl)-3-pyridin-4-ylthieno[3,2-b]pyridin-5-amine is sourced from PubChem (CID 171934759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).