6-ethoxy-4-[6-[2-[methyl(propyl)amino]ethylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C21H26N6O — CID 134436879

IUPAC6-ethoxy-4-[6-[2-[methyl(propyl)amino]ethylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCCN(C)CCNc1ccc(-c2cc(OCC)cn3ncc(C#N)c23)cn1
InChIInChI=1S/C21H26N6O/c1-4-9-26(3)10-8-23-20-7-6-16(13-24-20)19-11-18(28-5-2)15-27-21(19)17(12-22)14-25-27/h6-7,11,13-15H,4-5,8-10H2,1-3H3,(H,23,24)
InChIKeyFSHWFIFEFIKFFM-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.42
Rot. Bonds9

About 6-ethoxy-4-[6-[2-[methyl(propyl)amino]ethylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-ethoxy-4-[6-[2-[methyl(propyl)amino]ethylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134436879) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 6-ethoxy-4-[6-[2-[methyl(propyl)amino]ethylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-ethoxy-4-[6-[2-[methyl(propyl)amino]ethylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134436879
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name6-ethoxy-4-[6-[2-[methyl(propyl)amino]ethylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCCN(C)CCNc1ccc(-c2cc(OCC)cn3ncc(C#N)c23)cn1
InChIInChI=1S/C21H26N6O/c1-4-9-26(3)10-8-23-20-7-6-16(13-24-20)19-11-18(28-5-2)15-27-21(19)17(12-22)14-25-27/h6-7,11,13-15H,4-5,8-10H2,1-3H3,(H,23,24)
InChIKeyFSHWFIFEFIKFFM-UHFFFAOYSA-N
XLogP3.42
TPSA78.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[[5-[3-cyano-6-(3-hydroxycyclobutyl)oxypyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]amino]ethyl]acetamide
CID 146667890
6-ethoxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435378
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
6-ethoxy-4-[6-[[1-(4-ethynylbenzoyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146627105
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
4-[6-[[1-(4-ethenylbenzoyl)piperidin-4-yl]amino]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146667787
N-[6-[[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]amino]-3-ethyl-3-bicyclo[3.1.1]heptanyl]prop-2-ynamide
CID 147142300
6-ethoxy-4-[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 167643625
4-(5-bromopyrimidin-2-yl)-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134496987
ethyl N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate
CID 134436093
N-[5-[[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]amino]-2-methyl-2-bicyclo[2.2.2]octanyl]prop-2-ynamide
CID 146667821

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-[6-[2-[methyl(propyl)amino]ethylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-ethoxy-4-[6-[2-[methyl(propyl)amino]ethylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134436879) is 6-ethoxy-4-[6-[2-[methyl(propyl)amino]ethylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-ethoxy-4-[6-[2-[methyl(propyl)amino]ethylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-ethoxy-4-[6-[2-[methyl(propyl)amino]ethylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CCCN(C)CCNc1ccc(-c2cc(OCC)cn3ncc(C#N)c23)cn1.
What is the InChIKey of 6-ethoxy-4-[6-[2-[methyl(propyl)amino]ethylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is FSHWFIFEFIKFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-4-9-26(3)10-8-23-20-7-6-16(13-24-20)19-11-18(28-5-2)15-27-21(19)17(12-22)14-25-27/h6-7,11,13-15H,4-5,8-10H2,1-3H3,(H,23,24).
What are the key properties of 6-ethoxy-4-[6-[2-[methyl(propyl)amino]ethylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-ethoxy-4-[6-[2-[methyl(propyl)amino]ethylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 378.48 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-[6-[2-[methyl(propyl)amino]ethylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134436879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).