4-methyl-1,6-di(propan-2-yl)-2,3-dihydropyrazolo[3,4-b]pyridine

C13H21N3 — CID 170203801

IUPAC4-methyl-1,6-di(propan-2-yl)-2,3-dihydropyrazolo[3,4-b]pyridine
SMILESCc1cc(C(C)C)nc2c1CNN2C(C)C
InChIInChI=1S/C13H21N3/c1-8(2)12-6-10(5)11-7-14-16(9(3)4)13(11)15-12/h6,8-9,14H,7H2,1-5H3
InChIKeyHAPBSNSGTBWRHZ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.75
Rot. Bonds2

About 4-methyl-1,6-di(propan-2-yl)-2,3-dihydropyrazolo[3,4-b]pyridine

4-methyl-1,6-di(propan-2-yl)-2,3-dihydropyrazolo[3,4-b]pyridine (PubChem CID 170203801) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-methyl-1,6-di(propan-2-yl)-2,3-dihydropyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-methyl-1,6-di(propan-2-yl)-2,3-dihydropyrazolo[3,4-b]pyridine
PubChem CID170203801
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name4-methyl-1,6-di(propan-2-yl)-2,3-dihydropyrazolo[3,4-b]pyridine
SMILESCc1cc(C(C)C)nc2c1CNN2C(C)C
InChIInChI=1S/C13H21N3/c1-8(2)12-6-10(5)11-7-14-16(9(3)4)13(11)15-12/h6,8-9,14H,7H2,1-5H3
InChIKeyHAPBSNSGTBWRHZ-UHFFFAOYSA-N
XLogP2.75
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-1,6-di(propan-2-yl)-2,3-dihydropyrazolo[3,4-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,6-di(propan-2-yl)-2,3-dihydropyrazolo[3,4-b]pyridine?
The IUPAC name of 4-methyl-1,6-di(propan-2-yl)-2,3-dihydropyrazolo[3,4-b]pyridine (CID 170203801) is 4-methyl-1,6-di(propan-2-yl)-2,3-dihydropyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4-methyl-1,6-di(propan-2-yl)-2,3-dihydropyrazolo[3,4-b]pyridine?
The canonical SMILES for 4-methyl-1,6-di(propan-2-yl)-2,3-dihydropyrazolo[3,4-b]pyridine is Cc1cc(C(C)C)nc2c1CNN2C(C)C.
What is the InChIKey of 4-methyl-1,6-di(propan-2-yl)-2,3-dihydropyrazolo[3,4-b]pyridine?
The InChIKey is HAPBSNSGTBWRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-8(2)12-6-10(5)11-7-14-16(9(3)4)13(11)15-12/h6,8-9,14H,7H2,1-5H3.
What are the key properties of 4-methyl-1,6-di(propan-2-yl)-2,3-dihydropyrazolo[3,4-b]pyridine?
4-methyl-1,6-di(propan-2-yl)-2,3-dihydropyrazolo[3,4-b]pyridine has a molecular weight of 219.33 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,6-di(propan-2-yl)-2,3-dihydropyrazolo[3,4-b]pyridine is sourced from PubChem (CID 170203801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).