5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-4-carbonitrile

C12H11BrN4O — CID 171465762

IUPAC5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-4-carbonitrile
SMILESN#Cc1c(Br)cnc2c1cnn2C1CCCCO1
InChIInChI=1S/C12H11BrN4O/c13-10-7-15-12-9(8(10)5-14)6-16-17(12)11-3-1-2-4-18-11/h6-7,11H,1-4H2
InChIKeyKXDJLZADHLAUAY-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.76
Rot. Bonds1

About 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-4-carbonitrile

5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-4-carbonitrile (PubChem CID 171465762) has the molecular formula C12H11BrN4O and a molecular weight of 307.15 g/mol. Its IUPAC name is 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-4-carbonitrile.

Molecular Properties

Compound Name5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-4-carbonitrile
PubChem CID171465762
Molecular FormulaC12H11BrN4O
Molecular Weight307.15 g/mol
Exact Mass306.01
IUPAC Name5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-4-carbonitrile
SMILESN#Cc1c(Br)cnc2c1cnn2C1CCCCO1
InChIInChI=1S/C12H11BrN4O/c13-10-7-15-12-9(8(10)5-14)6-16-17(12)11-3-1-2-4-18-11/h6-7,11H,1-4H2
InChIKeyKXDJLZADHLAUAY-UHFFFAOYSA-N
XLogP2.76
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 131697629
4-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine
CID 121228913
4-(aziridin-1-yl)-1-[(2S)-oxan-2-yl]pyrazolo[5,4-d]pyrimidine
CID 3246173
2-[(2S)-oxan-2-yl]pyrazole-3-carbonitrile
CID 129410450
5-bromo-1-(oxan-2-yl)pyrazole-3-carbonitrile
CID 167513885
5-methyl-1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[3,4-b]pyridine
CID 168837634
6-chloro-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-4-amine
CID 171066775
4-methoxy-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[3,4-b]pyridine
CID 171465789
3-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine
CID 91663938
7-bromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine
CID 121228983
5-bromo-4-(2-chloroethoxy)-1-(oxan-2-yl)indazole
CID 23134542
6-bromo-1-[(2S)-oxan-2-yl]pyrazolo[4,5-b]pyridine
CID 124518404

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-4-carbonitrile?
The IUPAC name of 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-4-carbonitrile (CID 171465762) is 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-4-carbonitrile.
What is the SMILES notation for 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-4-carbonitrile?
The canonical SMILES for 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-4-carbonitrile is N#Cc1c(Br)cnc2c1cnn2C1CCCCO1.
What is the InChIKey of 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-4-carbonitrile?
The InChIKey is KXDJLZADHLAUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O/c13-10-7-15-12-9(8(10)5-14)6-16-17(12)11-3-1-2-4-18-11/h6-7,11H,1-4H2.
What are the key properties of 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-4-carbonitrile?
5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-4-carbonitrile has a molecular weight of 307.15 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-4-carbonitrile is sourced from PubChem (CID 171465762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).