N-methyl-1-(2-propylpyrazol-3-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine

C15H18N4S — CID 81144255

IUPACN-methyl-1-(2-propylpyrazol-3-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine
SMILESCCCn1nccc1C(NC)c1cnc2ccsc2c1
InChIInChI=1S/C15H18N4S/c1-3-7-19-13(4-6-18-19)15(16-2)11-9-14-12(17-10-11)5-8-20-14/h4-6,8-10,15-16H,3,7H2,1-2H3
InChIKeyMNSJGGXKNTXVRX-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.21
Rot. Bonds5

About N-methyl-1-(2-propylpyrazol-3-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine

N-methyl-1-(2-propylpyrazol-3-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine (PubChem CID 81144255) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-methyl-1-(2-propylpyrazol-3-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-(2-propylpyrazol-3-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine
PubChem CID81144255
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC NameN-methyl-1-(2-propylpyrazol-3-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine
SMILESCCCn1nccc1C(NC)c1cnc2ccsc2c1
InChIInChI=1S/C15H18N4S/c1-3-7-19-13(4-6-18-19)15(16-2)11-9-14-12(17-10-11)5-8-20-14/h4-6,8-10,15-16H,3,7H2,1-2H3
InChIKeyMNSJGGXKNTXVRX-UHFFFAOYSA-N
XLogP3.21
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 115857365
N-methyl-1-(1-methylimidazol-2-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81144346
1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 114330568
N-methyl-1-thieno[3,2-b]pyridin-6-yl-1-thiophen-2-ylmethanamine
CID 81143417
N-[(1-methylimidazol-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine
CID 81143617
N-[(4-chloro-1-methylpyrazol-5-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine
CID 114659039
2-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81144261
N-methyl-2-propoxy-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81144162
N,3-dimethyl-1-thieno[3,2-b]pyridin-6-ylhexan-1-amine
CID 81143501
N-[(3-chlorothiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine
CID 107360052
N-[(1-ethylpyrazol-4-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine
CID 81153035
1-(5-chlorothiophen-2-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81144357

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-propylpyrazol-3-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine?
The IUPAC name of N-methyl-1-(2-propylpyrazol-3-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine (CID 81144255) is N-methyl-1-(2-propylpyrazol-3-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine.
What is the SMILES notation for N-methyl-1-(2-propylpyrazol-3-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine?
The canonical SMILES for N-methyl-1-(2-propylpyrazol-3-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine is CCCn1nccc1C(NC)c1cnc2ccsc2c1.
What is the InChIKey of N-methyl-1-(2-propylpyrazol-3-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine?
The InChIKey is MNSJGGXKNTXVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-3-7-19-13(4-6-18-19)15(16-2)11-9-14-12(17-10-11)5-8-20-14/h4-6,8-10,15-16H,3,7H2,1-2H3.
What are the key properties of N-methyl-1-(2-propylpyrazol-3-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine?
N-methyl-1-(2-propylpyrazol-3-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine has a molecular weight of 286.40 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-propylpyrazol-3-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine is sourced from PubChem (CID 81144255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).