1-[1-(thieno[3,2-b]pyridin-6-ylmethyl)piperidin-3-yl]triazole-4-carboxylic acid

C16H17N5O2S — CID 146136667

IUPAC1-[1-(thieno[3,2-b]pyridin-6-ylmethyl)piperidin-3-yl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(C2CCCN(Cc3cnc4ccsc4c3)C2)nn1
InChIInChI=1S/C16H17N5O2S/c22-16(23)14-10-21(19-18-14)12-2-1-4-20(9-12)8-11-6-15-13(17-7-11)3-5-24-15/h3,5-7,10,12H,1-2,4,8-9H2,(H,22,23)
InChIKeyGFLQZJBEAJEPRB-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.42
Rot. Bonds4

About 1-[1-(thieno[3,2-b]pyridin-6-ylmethyl)piperidin-3-yl]triazole-4-carboxylic acid

1-[1-(thieno[3,2-b]pyridin-6-ylmethyl)piperidin-3-yl]triazole-4-carboxylic acid (PubChem CID 146136667) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 1-[1-(thieno[3,2-b]pyridin-6-ylmethyl)piperidin-3-yl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(thieno[3,2-b]pyridin-6-ylmethyl)piperidin-3-yl]triazole-4-carboxylic acid
PubChem CID146136667
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name1-[1-(thieno[3,2-b]pyridin-6-ylmethyl)piperidin-3-yl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(C2CCCN(Cc3cnc4ccsc4c3)C2)nn1
InChIInChI=1S/C16H17N5O2S/c22-16(23)14-10-21(19-18-14)12-2-1-4-20(9-12)8-11-6-15-13(17-7-11)3-5-24-15/h3,5-7,10,12H,1-2,4,8-9H2,(H,22,23)
InChIKeyGFLQZJBEAJEPRB-UHFFFAOYSA-N
XLogP2.42
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(3R)-1-benzylpiperidin-3-yl]-N-cyclopentyltriazole-4-carboxamide
CID 42541563
1-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]triazole-4-carboxylic acid
CID 167843846
N-cyclopentyl-1-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45234074
[1-[(3S)-1-[(4-ethoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 26351120
1-[1-[(5-methyl-3-pyridinyl)methyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 102877541
1-[1-[(5-bromo-3-pyridinyl)methyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 104800474
1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311767
N-cyclopentyl-1-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45230126
(3S,4R)-4-phenyl-1-(thieno[3,2-b]pyridin-6-ylmethyl)pyrrolidine-3-carboxylic acid
CID 154843913
1-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide
CID 45234972
1-[1-[(3-chloro-4-methylphenyl)methyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 106819023
[1-[(3S)-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 42272938

Frequently Asked Questions

What is the IUPAC name of 1-[1-(thieno[3,2-b]pyridin-6-ylmethyl)piperidin-3-yl]triazole-4-carboxylic acid?
The IUPAC name of 1-[1-(thieno[3,2-b]pyridin-6-ylmethyl)piperidin-3-yl]triazole-4-carboxylic acid (CID 146136667) is 1-[1-(thieno[3,2-b]pyridin-6-ylmethyl)piperidin-3-yl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-(thieno[3,2-b]pyridin-6-ylmethyl)piperidin-3-yl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[1-(thieno[3,2-b]pyridin-6-ylmethyl)piperidin-3-yl]triazole-4-carboxylic acid is O=C(O)c1cn(C2CCCN(Cc3cnc4ccsc4c3)C2)nn1.
What is the InChIKey of 1-[1-(thieno[3,2-b]pyridin-6-ylmethyl)piperidin-3-yl]triazole-4-carboxylic acid?
The InChIKey is GFLQZJBEAJEPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c22-16(23)14-10-21(19-18-14)12-2-1-4-20(9-12)8-11-6-15-13(17-7-11)3-5-24-15/h3,5-7,10,12H,1-2,4,8-9H2,(H,22,23).
What are the key properties of 1-[1-(thieno[3,2-b]pyridin-6-ylmethyl)piperidin-3-yl]triazole-4-carboxylic acid?
1-[1-(thieno[3,2-b]pyridin-6-ylmethyl)piperidin-3-yl]triazole-4-carboxylic acid has a molecular weight of 343.41 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(thieno[3,2-b]pyridin-6-ylmethyl)piperidin-3-yl]triazole-4-carboxylic acid is sourced from PubChem (CID 146136667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).