4-[4-(4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methyltriazol-1-yl]piperidine-1-carboxylic acid

C17H20N6O3 — CID 170313696

IUPAC4-[4-(4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methyltriazol-1-yl]piperidine-1-carboxylic acid
SMILESCOc1cc(-c2nnn(C3CCN(C(=O)O)CC3)c2C)cn2nccc12
InChIInChI=1S/C17H20N6O3/c1-11-16(12-9-15(26-2)14-3-6-18-22(14)10-12)19-20-23(11)13-4-7-21(8-5-13)17(24)25/h3,6,9-10,13H,4-5,7-8H2,1-2H3,(H,24,25)
InChIKeySADBHUROSATPRV-UHFFFAOYSA-N
MW356.39 g/mol
LogP2.22
Rot. Bonds3

About 4-[4-(4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methyltriazol-1-yl]piperidine-1-carboxylic acid

4-[4-(4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methyltriazol-1-yl]piperidine-1-carboxylic acid (PubChem CID 170313696) has the molecular formula C17H20N6O3 and a molecular weight of 356.39 g/mol. Its IUPAC name is 4-[4-(4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methyltriazol-1-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-(4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methyltriazol-1-yl]piperidine-1-carboxylic acid
PubChem CID170313696
Molecular FormulaC17H20N6O3
Molecular Weight356.39 g/mol
Exact Mass356.16
IUPAC Name4-[4-(4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methyltriazol-1-yl]piperidine-1-carboxylic acid
SMILESCOc1cc(-c2nnn(C3CCN(C(=O)O)CC3)c2C)cn2nccc12
InChIInChI=1S/C17H20N6O3/c1-11-16(12-9-15(26-2)14-3-6-18-22(14)10-12)19-20-23(11)13-4-7-21(8-5-13)17(24)25/h3,6,9-10,13H,4-5,7-8H2,1-2H3,(H,24,25)
InChIKeySADBHUROSATPRV-UHFFFAOYSA-N
XLogP2.22
TPSA97.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methyltriazol-1-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[4-(4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methyltriazol-1-yl]piperidine-1-carboxylic acid (CID 170313696) is 4-[4-(4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methyltriazol-1-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[4-(4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methyltriazol-1-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[4-(4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methyltriazol-1-yl]piperidine-1-carboxylic acid is COc1cc(-c2nnn(C3CCN(C(=O)O)CC3)c2C)cn2nccc12.
What is the InChIKey of 4-[4-(4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methyltriazol-1-yl]piperidine-1-carboxylic acid?
The InChIKey is SADBHUROSATPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3/c1-11-16(12-9-15(26-2)14-3-6-18-22(14)10-12)19-20-23(11)13-4-7-21(8-5-13)17(24)25/h3,6,9-10,13H,4-5,7-8H2,1-2H3,(H,24,25).
What are the key properties of 4-[4-(4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methyltriazol-1-yl]piperidine-1-carboxylic acid?
4-[4-(4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methyltriazol-1-yl]piperidine-1-carboxylic acid has a molecular weight of 356.39 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methyltriazol-1-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 170313696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).