methyl 3-cyclopropyl-6-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate

C18H17N3O2 — CID 19588745

IUPACmethyl 3-cyclopropyl-6-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc2c1c(C1CC1)nn2-c1ccccc1
InChIInChI=1S/C18H17N3O2/c1-11-10-14(18(22)23-2)15-16(12-8-9-12)20-21(17(15)19-11)13-6-4-3-5-7-13/h3-7,10,12H,8-9H2,1-2H3
InChIKeyJJNWENYTFYPJLJ-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.39
Rot. Bonds3

About methyl 3-cyclopropyl-6-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate

methyl 3-cyclopropyl-6-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate (PubChem CID 19588745) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is methyl 3-cyclopropyl-6-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-cyclopropyl-6-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate
PubChem CID19588745
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Namemethyl 3-cyclopropyl-6-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc2c1c(C1CC1)nn2-c1ccccc1
InChIInChI=1S/C18H17N3O2/c1-11-10-14(18(22)23-2)15-16(12-8-9-12)20-21(17(15)19-11)13-6-4-3-5-7-13/h3-7,10,12H,8-9H2,1-2H3
InChIKeyJJNWENYTFYPJLJ-UHFFFAOYSA-N
XLogP3.39
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclopropyl-6-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate?
The IUPAC name of methyl 3-cyclopropyl-6-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate (CID 19588745) is methyl 3-cyclopropyl-6-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-cyclopropyl-6-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-cyclopropyl-6-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate is COC(=O)c1cc(C)nc2c1c(C1CC1)nn2-c1ccccc1.
What is the InChIKey of methyl 3-cyclopropyl-6-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate?
The InChIKey is JJNWENYTFYPJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-11-10-14(18(22)23-2)15-16(12-8-9-12)20-21(17(15)19-11)13-6-4-3-5-7-13/h3-7,10,12H,8-9H2,1-2H3.
What are the key properties of methyl 3-cyclopropyl-6-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate?
methyl 3-cyclopropyl-6-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopropyl-6-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 19588745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).