ethane;3-methyl-2H-pyrazolo[3,4-b]pyridine;propane

C12H21N3 — CID 143179270

IUPACethane;3-methyl-2H-pyrazolo[3,4-b]pyridine;propane
SMILESCC.CCC.Cc1[nH]nc2ncccc12
InChIInChI=1S/C7H7N3.C3H8.C2H6/c1-5-6-3-2-4-8-7(6)10-9-5;1-3-2;1-2/h2-4H,1H3,(H,8,9,10);3H2,1-2H3;1-2H3
InChIKeyBEDAGAQSXYQKIJ-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.71
Rot. Bonds

About ethane;3-methyl-2H-pyrazolo[3,4-b]pyridine;propane

ethane;3-methyl-2H-pyrazolo[3,4-b]pyridine;propane (PubChem CID 143179270) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is ethane;3-methyl-2H-pyrazolo[3,4-b]pyridine;propane.

Molecular Properties

Compound Nameethane;3-methyl-2H-pyrazolo[3,4-b]pyridine;propane
PubChem CID143179270
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Nameethane;3-methyl-2H-pyrazolo[3,4-b]pyridine;propane
SMILESCC.CCC.Cc1[nH]nc2ncccc12
InChIInChI=1S/C7H7N3.C3H8.C2H6/c1-5-6-3-2-4-8-7(6)10-9-5;1-3-2;1-2/h2-4H,1H3,(H,8,9,10);3H2,1-2H3;1-2H3
InChIKeyBEDAGAQSXYQKIJ-UHFFFAOYSA-N
XLogP3.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;ethane
CID 161040738
1-(2H-pyrazolo[3,4-b]pyridin-3-yl)propan-1-one
CID 134369259
2H-pyrazolo[3,4-b]pyridin-3-amine;hydrochloride
CID 155662054
3,7-dimethyl-2H-indazole;propane
CID 143828593
ethyl 2,3-dihydroxy-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate
CID 171866282
ethyl 3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enoate
CID 76681112
1,8-naphthyridine;propane
CID 142433930
ethane;4-methyl-1,8-naphthyridine
CID 143124676
5-ethyl-3-methyl-2H-pyrazolo[3,4-b]pyridine
CID 59824877
2-(methylamino)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone
CID 84662548
3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-en-1-amine
CID 169463700
4-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-3-enal
CID 170482014

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-2H-pyrazolo[3,4-b]pyridine;propane?
The IUPAC name of ethane;3-methyl-2H-pyrazolo[3,4-b]pyridine;propane (CID 143179270) is ethane;3-methyl-2H-pyrazolo[3,4-b]pyridine;propane.
What is the SMILES notation for ethane;3-methyl-2H-pyrazolo[3,4-b]pyridine;propane?
The canonical SMILES for ethane;3-methyl-2H-pyrazolo[3,4-b]pyridine;propane is CC.CCC.Cc1[nH]nc2ncccc12.
What is the InChIKey of ethane;3-methyl-2H-pyrazolo[3,4-b]pyridine;propane?
The InChIKey is BEDAGAQSXYQKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3.C3H8.C2H6/c1-5-6-3-2-4-8-7(6)10-9-5;1-3-2;1-2/h2-4H,1H3,(H,8,9,10);3H2,1-2H3;1-2H3.
What are the key properties of ethane;3-methyl-2H-pyrazolo[3,4-b]pyridine;propane?
ethane;3-methyl-2H-pyrazolo[3,4-b]pyridine;propane has a molecular weight of 207.32 g/mol, XLogP of 3.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-2H-pyrazolo[3,4-b]pyridine;propane is sourced from PubChem (CID 143179270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).