N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine

C21H22N4S — CID 166224180

IUPACN-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESCc1cc(C)n(-c2ccccc2CNC(C)c2cnc3ccsc3c2)n1
InChIInChI=1S/C21H22N4S/c1-14-10-15(2)25(24-14)20-7-5-4-6-17(20)12-22-16(3)18-11-21-19(23-13-18)8-9-26-21/h4-11,13,16,22H,12H2,1-3H3
InChIKeySXAJYBXQTHSCIP-UHFFFAOYSA-N
MW362.50 g/mol
LogP4.95
Rot. Bonds5

About N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine

N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine (PubChem CID 166224180) has the molecular formula C21H22N4S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine.

Molecular Properties

Compound NameN-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
PubChem CID166224180
Molecular FormulaC21H22N4S
Molecular Weight362.50 g/mol
Exact Mass362.16
IUPAC NameN-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESCc1cc(C)n(-c2ccccc2CNC(C)c2cnc3ccsc3c2)n1
InChIInChI=1S/C21H22N4S/c1-14-10-15(2)25(24-14)20-7-5-4-6-17(20)12-22-16(3)18-11-21-19(23-13-18)8-9-26-21/h4-11,13,16,22H,12H2,1-3H3
InChIKeySXAJYBXQTHSCIP-UHFFFAOYSA-N
XLogP4.95
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 5329367
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CID 5329368
CID 5329368
CID 23647014
CID 23647014
CID 9884654
CID 9884654
CID 711817
CID 711817
CID 711829
CID 711829
CID 11054978
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CID 124175977
CID 124175977
CID 132085886
CID 132085886

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine?
The IUPAC name of N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine (CID 166224180) is N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine.
What is the SMILES notation for N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine?
The canonical SMILES for N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine is Cc1cc(C)n(-c2ccccc2CNC(C)c2cnc3ccsc3c2)n1.
What is the InChIKey of N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine?
The InChIKey is SXAJYBXQTHSCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4S/c1-14-10-15(2)25(24-14)20-7-5-4-6-17(20)12-22-16(3)18-11-21-19(23-13-18)8-9-26-21/h4-11,13,16,22H,12H2,1-3H3.
What are the key properties of N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine?
N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine has a molecular weight of 362.50 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine is sourced from PubChem (CID 166224180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).