4-(5-bromopyrimidin-2-yl)-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile

C14H10BrN5O — CID 134496987

IUPAC4-(5-bromopyrimidin-2-yl)-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ncc(Br)cn2)c2c(C#N)cnn2c1
InChIInChI=1S/C14H10BrN5O/c1-2-21-11-3-12(14-17-6-10(15)7-18-14)13-9(4-16)5-19-20(13)8-11/h3,5-8H,2H2,1H3
InChIKeyKENMKPORDHQKTN-UHFFFAOYSA-N
MW344.17 g/mol
LogP2.82
Rot. Bonds3

About 4-(5-bromopyrimidin-2-yl)-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile

4-(5-bromopyrimidin-2-yl)-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134496987) has the molecular formula C14H10BrN5O and a molecular weight of 344.17 g/mol. Its IUPAC name is 4-(5-bromopyrimidin-2-yl)-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(5-bromopyrimidin-2-yl)-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134496987
Molecular FormulaC14H10BrN5O
Molecular Weight344.17 g/mol
Exact Mass343.01
IUPAC Name4-(5-bromopyrimidin-2-yl)-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ncc(Br)cn2)c2c(C#N)cnn2c1
InChIInChI=1S/C14H10BrN5O/c1-2-21-11-3-12(14-17-6-10(15)7-18-14)13-9(4-16)5-19-20(13)8-11/h3,5-8H,2H2,1H3
InChIKeyKENMKPORDHQKTN-UHFFFAOYSA-N
XLogP2.82
TPSA76.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethoxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435378
6-ethoxy-4-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435389
4-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134434609
6-ethoxy-4-[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 167643625
6-ethoxy-4-[6-[2-[methyl(propyl)amino]ethylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436879
6-ethoxy-4-[5-(3-hydroxypiperidin-1-yl)pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435679
4-[6-[(1R,3S)-5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 175729045
[(3R,5S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-5-(trifluoromethyl)piperidin-3-yl]-methylcarbamic acid
CID 134497008
6-ethoxy-4-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436826
6-ethoxy-4-[6-[6-(2-methoxyethoxy)-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435654
4-[6-(2-acetyl-2-azabicyclo[2.2.1]heptan-5-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146667036
6-[2-(azetidin-1-yl)ethoxy]-4-bromopyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435501

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromopyrimidin-2-yl)-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-(5-bromopyrimidin-2-yl)-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134496987) is 4-(5-bromopyrimidin-2-yl)-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(5-bromopyrimidin-2-yl)-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-(5-bromopyrimidin-2-yl)-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1cc(-c2ncc(Br)cn2)c2c(C#N)cnn2c1.
What is the InChIKey of 4-(5-bromopyrimidin-2-yl)-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is KENMKPORDHQKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN5O/c1-2-21-11-3-12(14-17-6-10(15)7-18-14)13-9(4-16)5-19-20(13)8-11/h3,5-8H,2H2,1H3.
What are the key properties of 4-(5-bromopyrimidin-2-yl)-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
4-(5-bromopyrimidin-2-yl)-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 344.17 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromopyrimidin-2-yl)-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134496987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).