6-bromo-4-(1-cyclopropylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

C13H12BrN3O — CID 164921021

IUPAC6-bromo-4-(1-cyclopropylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(Oc1cc(Br)cn2ncc(C#N)c12)C1CC1
InChIInChI=1S/C13H12BrN3O/c1-8(9-2-3-9)18-12-4-11(14)7-17-13(12)10(5-15)6-16-17/h4,6-9H,2-3H2,1H3
InChIKeyNMJPLIOVXCQOFG-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.15
Rot. Bonds3

About 6-bromo-4-(1-cyclopropylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

6-bromo-4-(1-cyclopropylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 164921021) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is 6-bromo-4-(1-cyclopropylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-bromo-4-(1-cyclopropylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID164921021
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name6-bromo-4-(1-cyclopropylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(Oc1cc(Br)cn2ncc(C#N)c12)C1CC1
InChIInChI=1S/C13H12BrN3O/c1-8(9-2-3-9)18-12-4-11(14)7-17-13(12)10(5-15)6-16-17/h4,6-9H,2-3H2,1H3
InChIKeyNMJPLIOVXCQOFG-UHFFFAOYSA-N
XLogP3.15
TPSA50.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164920773
4-[(1R)-1-cyclopropylethoxy]-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164921132
6-[(Z)-1-amino-3-(1-cyanopiperidin-4-yl)iminobut-1-en-2-yl]-4-(1-cyclopropylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164920720
4-[(1R)-1-cyclobutylethoxy]-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164920807
6-bromo-4-(2-cyanophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848480
4-(5-bromopyrimidin-2-yl)-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134496987
6-chloro-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 123566804
6-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164921193
[3-cyano-4-[(1R)-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridin-6-yl]boronic acid
CID 171818813
6-bromo-4-[6-(4-deuterio-4-methylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 175764205
[1-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)azepan-4-yl]carbamic acid
CID 175735084
6-[1-(1-cyanopiperidin-4-yl)-5-methyltriazol-4-yl]-4-[1-[5-(difluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164920951

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(1-cyclopropylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-bromo-4-(1-cyclopropylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 164921021) is 6-bromo-4-(1-cyclopropylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-bromo-4-(1-cyclopropylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-bromo-4-(1-cyclopropylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is CC(Oc1cc(Br)cn2ncc(C#N)c12)C1CC1.
What is the InChIKey of 6-bromo-4-(1-cyclopropylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is NMJPLIOVXCQOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c1-8(9-2-3-9)18-12-4-11(14)7-17-13(12)10(5-15)6-16-17/h4,6-9H,2-3H2,1H3.
What are the key properties of 6-bromo-4-(1-cyclopropylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-bromo-4-(1-cyclopropylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 306.16 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(1-cyclopropylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164921021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).