tert-butyl 3-cyano-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate

C14H20N4O2 — CID 168934786

IUPACtert-butyl 3-cyano-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate
SMILESCC1c2nn(C)c(C#N)c2CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H20N4O2/c1-9-12-10(11(8-15)17(5)16-12)6-7-18(9)13(19)20-14(2,3)4/h9H,6-7H2,1-5H3
InChIKeyNBBODXSWEFIDMO-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.15
Rot. Bonds

About tert-butyl 3-cyano-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate

tert-butyl 3-cyano-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate (PubChem CID 168934786) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is tert-butyl 3-cyano-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-cyano-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate
PubChem CID168934786
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Nametert-butyl 3-cyano-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate
SMILESCC1c2nn(C)c(C#N)c2CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H20N4O2/c1-9-12-10(11(8-15)17(5)16-12)6-7-18(9)13(19)20-14(2,3)4/h9H,6-7H2,1-5H3
InChIKeyNBBODXSWEFIDMO-UHFFFAOYSA-N
XLogP2.15
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-cyano-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate?
The IUPAC name of tert-butyl 3-cyano-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate (CID 168934786) is tert-butyl 3-cyano-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate.
What is the SMILES notation for tert-butyl 3-cyano-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate?
The canonical SMILES for tert-butyl 3-cyano-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate is CC1c2nn(C)c(C#N)c2CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-cyano-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate?
The InChIKey is NBBODXSWEFIDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9-12-10(11(8-15)17(5)16-12)6-7-18(9)13(19)20-14(2,3)4/h9H,6-7H2,1-5H3.
What are the key properties of tert-butyl 3-cyano-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate?
tert-butyl 3-cyano-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-cyano-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate is sourced from PubChem (CID 168934786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).