6-[(Z)-1-amino-3-(1-cyanopiperidin-4-yl)iminobut-1-en-2-yl]-4-(1-cyclopropylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

C23H27N7O — CID 164920720

IUPAC6-[(Z)-1-amino-3-(1-cyanopiperidin-4-yl)iminobut-1-en-2-yl]-4-(1-cyclopropylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(=N\C1CCN(C#N)CC1)/C(=C\N)c1cc(OC(C)C2CC2)c2c(C#N)cnn2c1
InChIInChI=1S/C23H27N7O/c1-15(28-20-5-7-29(14-26)8-6-20)21(11-25)18-9-22(31-16(2)17-3-4-17)23-19(10-24)12-27-30(23)13-18/h9,11-13,16-17,20H,3-8,25H2,1-2H3/b21-11+,28-15+
InChIKeyXQCZGFAGACIVGT-UKQLMXBISA-N
MW417.52 g/mol
LogP3.09
Rot. Bonds6

About 6-[(Z)-1-amino-3-(1-cyanopiperidin-4-yl)iminobut-1-en-2-yl]-4-(1-cyclopropylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

6-[(Z)-1-amino-3-(1-cyanopiperidin-4-yl)iminobut-1-en-2-yl]-4-(1-cyclopropylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 164920720) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is 6-[(Z)-1-amino-3-(1-cyanopiperidin-4-yl)iminobut-1-en-2-yl]-4-(1-cyclopropylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(Z)-1-amino-3-(1-cyanopiperidin-4-yl)iminobut-1-en-2-yl]-4-(1-cyclopropylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID164920720
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC Name6-[(Z)-1-amino-3-(1-cyanopiperidin-4-yl)iminobut-1-en-2-yl]-4-(1-cyclopropylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(=N\C1CCN(C#N)CC1)/C(=C\N)c1cc(OC(C)C2CC2)c2c(C#N)cnn2c1
InChIInChI=1S/C23H27N7O/c1-15(28-20-5-7-29(14-26)8-6-20)21(11-25)18-9-22(31-16(2)17-3-4-17)23-19(10-24)12-27-30(23)13-18/h9,11-13,16-17,20H,3-8,25H2,1-2H3/b21-11+,28-15+
InChIKeyXQCZGFAGACIVGT-UKQLMXBISA-N
XLogP3.09
TPSA115.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[[(Z)-4-amino-3-[3-chloro-4-[1-(2-cyanophenyl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]but-3-en-2-ylidene]amino]piperidine-1-carbonitrile;ethane
CID 164920613
6-[(Z)-1-amino-3-piperidin-4-yliminobut-1-en-2-yl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 169267645
6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164921297
6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-[1-(1-propan-2-yltriazol-4-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164920905
6-[(Z)-1-amino-3-(1-cyanopiperidin-4-yl)iminoprop-1-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164921432
6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164920665
6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-[1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164921348
6-[(Z)-1-amino-3-[1-[(3S)-1-cyanopyrrolidin-3-yl]azetidin-3-yl]iminobut-1-en-2-yl]-4-[[(1R)-1-pyridin-2-ylethyl]amino]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164920761
6-[(Z)-1-amino-3-[1-(5,5-dimethylpyrrolidin-3-yl)azetidin-3-yl]iminobut-1-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164921352
6-bromo-4-(1-cyclopropylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164921021
6-[(Z)-1-amino-3-[1-(6-azabicyclo[3.2.1]octan-3-yl)azetidin-3-yl]iminobut-1-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164920394
tert-butyl 3-[3-[[(Z)-4-amino-3-[3-cyano-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridin-6-yl]but-3-en-2-ylidene]amino]azetidin-1-yl]pyrrolidine-1-carboxylate
CID 164921461

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-1-amino-3-(1-cyanopiperidin-4-yl)iminobut-1-en-2-yl]-4-(1-cyclopropylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 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) is 6-[(Z)-1-amino-3-(1-cyanopiperidin-4-yl)iminobut-1-en-2-yl]-4-(1-cyclopropylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(Z)-1-amino-3-(1-cyanopiperidin-4-yl)iminobut-1-en-2-yl]-4-(1-cyclopropylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(Z)-1-amino-3-(1-cyanopiperidin-4-yl)iminobut-1-en-2-yl]-4-(1-cyclopropylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is CC(=N\C1CCN(C#N)CC1)/C(=C\N)c1cc(OC(C)C2CC2)c2c(C#N)cnn2c1.
What is the InChIKey of 6-[(Z)-1-amino-3-(1-cyanopiperidin-4-yl)iminobut-1-en-2-yl]-4-(1-cyclopropylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is XQCZGFAGACIVGT-UKQLMXBISA-N. The full InChI is InChI=1S/C23H27N7O/c1-15(28-20-5-7-29(14-26)8-6-20)21(11-25)18-9-22(31-16(2)17-3-4-17)23-19(10-24)12-27-30(23)13-18/h9,11-13,16-17,20H,3-8,25H2,1-2H3/b21-11+,28-15+.
What are the key properties of 6-[(Z)-1-amino-3-(1-cyanopiperidin-4-yl)iminobut-1-en-2-yl]-4-(1-cyclopropylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-[(Z)-1-amino-3-(1-cyanopiperidin-4-yl)iminobut-1-en-2-yl]-4-(1-cyclopropylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 417.52 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-1-amino-3-(1-cyanopiperidin-4-yl)iminobut-1-en-2-yl]-4-(1-cyclopropylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164920720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).