1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-4-carboxylate

C15H16N5O2- — CID 7174544

IUPAC1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)[O-])c2c(C)nn(C)c2n1
InChIInChI=1S/C15H17N5O2/c1-7-12(9(3)19(4)17-7)11-6-10(15(21)22)13-8(2)18-20(5)14(13)16-11/h6H,1-5H3,(H,21,22)/p-1
InChIKeyXNMQOSKUHAYISZ-UHFFFAOYSA-M
MW298.33 g/mol
LogP0.66
Rot. Bonds2

About 1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-4-carboxylate

1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 7174544) has the molecular formula C15H16N5O2- and a molecular weight of 298.33 g/mol. Its IUPAC name is 1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID7174544
Molecular FormulaC15H16N5O2-
Molecular Weight298.33 g/mol
Exact Mass298.13
IUPAC Name1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)[O-])c2c(C)nn(C)c2n1
InChIInChI=1S/C15H17N5O2/c1-7-12(9(3)19(4)17-7)11-6-10(15(21)22)13-8(2)18-20(5)14(13)16-11/h6H,1-5H3,(H,21,22)/p-1
InChIKeyXNMQOSKUHAYISZ-UHFFFAOYSA-M
XLogP0.66
TPSA88.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of 1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-4-carboxylate (CID 7174544) is 1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for 1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for 1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-4-carboxylate is Cc1nn(C)c(C)c1-c1cc(C(=O)[O-])c2c(C)nn(C)c2n1.
What is the InChIKey of 1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is XNMQOSKUHAYISZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H17N5O2/c1-7-12(9(3)19(4)17-7)11-6-10(15(21)22)13-8(2)18-20(5)14(13)16-11/h6H,1-5H3,(H,21,22)/p-1.
What are the key properties of 1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-4-carboxylate?
1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 298.33 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 7174544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).