1-[1-(3-methyltriazolo[4,5-b]pyridine-7-carbonyl)piperidin-4-yl]pyrazole-4-carboxylic acid

C16H17N7O3 — CID 138038167

IUPAC1-[1-(3-methyltriazolo[4,5-b]pyridine-7-carbonyl)piperidin-4-yl]pyrazole-4-carboxylic acid
SMILESCn1nnc2c(C(=O)N3CCC(n4cc(C(=O)O)cn4)CC3)ccnc21
InChIInChI=1S/C16H17N7O3/c1-21-14-13(19-20-21)12(2-5-17-14)15(24)22-6-3-11(4-7-22)23-9-10(8-18-23)16(25)26/h2,5,8-9,11H,3-4,6-7H2,1H3,(H,25,26)
InChIKeyMAFYJGSSWZAPFK-UHFFFAOYSA-N
MW355.36 g/mol
LogP0.74
Rot. Bonds3

About 1-[1-(3-methyltriazolo[4,5-b]pyridine-7-carbonyl)piperidin-4-yl]pyrazole-4-carboxylic acid

1-[1-(3-methyltriazolo[4,5-b]pyridine-7-carbonyl)piperidin-4-yl]pyrazole-4-carboxylic acid (PubChem CID 138038167) has the molecular formula C16H17N7O3 and a molecular weight of 355.36 g/mol. Its IUPAC name is 1-[1-(3-methyltriazolo[4,5-b]pyridine-7-carbonyl)piperidin-4-yl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(3-methyltriazolo[4,5-b]pyridine-7-carbonyl)piperidin-4-yl]pyrazole-4-carboxylic acid
PubChem CID138038167
Molecular FormulaC16H17N7O3
Molecular Weight355.36 g/mol
Exact Mass355.14
IUPAC Name1-[1-(3-methyltriazolo[4,5-b]pyridine-7-carbonyl)piperidin-4-yl]pyrazole-4-carboxylic acid
SMILESCn1nnc2c(C(=O)N3CCC(n4cc(C(=O)O)cn4)CC3)ccnc21
InChIInChI=1S/C16H17N7O3/c1-21-14-13(19-20-21)12(2-5-17-14)15(24)22-6-3-11(4-7-22)23-9-10(8-18-23)16(25)26/h2,5,8-9,11H,3-4,6-7H2,1H3,(H,25,26)
InChIKeyMAFYJGSSWZAPFK-UHFFFAOYSA-N
XLogP0.74
TPSA119.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]pyrazole-4-carboxylic acid
CID 154741187
1-[1-(2,4-dimethyl-5-nitrobenzoyl)piperidin-4-yl]pyrazole-4-carboxylic acid
CID 122109410
1-[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]pyrazole-4-carboxylic acid
CID 167872383
1-[1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperidin-4-yl]pyrazole-4-carboxylic acid
CID 129469400
1-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]pyrazole-4-carboxylic acid
CID 129469236
4-(4-prop-2-enoylpyrazol-1-yl)piperidine-1-carboxylic acid
CID 139535625
1-[(3R)-1-(2-methoxyacetyl)pyrrolidin-3-yl]pyrazole-4-carboxylic acid
CID 95804209
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 107108858
cyclopropyl-[4-(4-hydroxypyrazol-1-yl)piperidin-1-yl]methanone
CID 166595328
1-(3-hydroxycyclopentyl)pyrazole-4-carboxylic acid
CID 84733356
4-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]benzoic acid
CID 142325362
1-[1-[3-(3-ethoxyphenyl)propanoyl]piperidin-4-yl]pyrazole-4-carboxylic acid
CID 138038164

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methyltriazolo[4,5-b]pyridine-7-carbonyl)piperidin-4-yl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[1-(3-methyltriazolo[4,5-b]pyridine-7-carbonyl)piperidin-4-yl]pyrazole-4-carboxylic acid (CID 138038167) is 1-[1-(3-methyltriazolo[4,5-b]pyridine-7-carbonyl)piperidin-4-yl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-(3-methyltriazolo[4,5-b]pyridine-7-carbonyl)piperidin-4-yl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[1-(3-methyltriazolo[4,5-b]pyridine-7-carbonyl)piperidin-4-yl]pyrazole-4-carboxylic acid is Cn1nnc2c(C(=O)N3CCC(n4cc(C(=O)O)cn4)CC3)ccnc21.
What is the InChIKey of 1-[1-(3-methyltriazolo[4,5-b]pyridine-7-carbonyl)piperidin-4-yl]pyrazole-4-carboxylic acid?
The InChIKey is MAFYJGSSWZAPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O3/c1-21-14-13(19-20-21)12(2-5-17-14)15(24)22-6-3-11(4-7-22)23-9-10(8-18-23)16(25)26/h2,5,8-9,11H,3-4,6-7H2,1H3,(H,25,26).
What are the key properties of 1-[1-(3-methyltriazolo[4,5-b]pyridine-7-carbonyl)piperidin-4-yl]pyrazole-4-carboxylic acid?
1-[1-(3-methyltriazolo[4,5-b]pyridine-7-carbonyl)piperidin-4-yl]pyrazole-4-carboxylic acid has a molecular weight of 355.36 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methyltriazolo[4,5-b]pyridine-7-carbonyl)piperidin-4-yl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 138038167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).