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

C18H19N7O — CID 164921432

IUPAC6-[(Z)-1-amino-3-(1-cyanopiperidin-4-yl)iminoprop-1-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1cc(C(=C/N)/C=N/C2CCN(C#N)CC2)cn2ncc(C#N)c12
InChIInChI=1S/C18H19N7O/c1-26-17-6-13(11-25-18(17)15(8-20)10-23-25)14(7-19)9-22-16-2-4-24(12-21)5-3-16/h6-7,9-11,16H,2-5,19H2,1H3/b14-7+,22-9+
InChIKeyDMCKTMASSJUQOZ-WYUFJTEYSA-N
MW349.40 g/mol
LogP1.53
Rot. Bonds4

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

6-[(Z)-1-amino-3-(1-cyanopiperidin-4-yl)iminoprop-1-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 164921432) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is 6-[(Z)-1-amino-3-(1-cyanopiperidin-4-yl)iminoprop-1-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(Z)-1-amino-3-(1-cyanopiperidin-4-yl)iminoprop-1-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID164921432
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name6-[(Z)-1-amino-3-(1-cyanopiperidin-4-yl)iminoprop-1-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1cc(C(=C/N)/C=N/C2CCN(C#N)CC2)cn2ncc(C#N)c12
InChIInChI=1S/C18H19N7O/c1-26-17-6-13(11-25-18(17)15(8-20)10-23-25)14(7-19)9-22-16-2-4-24(12-21)5-3-16/h6-7,9-11,16H,2-5,19H2,1H3/b14-7+,22-9+
InChIKeyDMCKTMASSJUQOZ-WYUFJTEYSA-N
XLogP1.53
TPSA115.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 51.53
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

N-[3-[4-[[(Z)-3-amino-2-(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-6-yl)prop-2-enylidene]amino]piperidine-1-carbonyl]cyclobutyl]ethenesulfonamide
CID 164705080
6-[1-amino-3-[1-(7-ethenylsulfonyl-7-azaspiro[3.5]nonane-2-carbonyl)piperidin-4-yl]iminoprop-1-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 163995726
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
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-(5,5-dimethylpyrrolidin-3-yl)azetidin-3-yl]iminobut-1-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164921352
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-[1-[1-(1-cyanopiperidin-4-yl)azetidin-3-yl]-5-methyltriazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164920703
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
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-(2-hydroxy-2-methylpropoxy)-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 138521644

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-1-amino-3-(1-cyanopiperidin-4-yl)iminoprop-1-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-[(Z)-1-amino-3-(1-cyanopiperidin-4-yl)iminoprop-1-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile (CID 164921432) is 6-[(Z)-1-amino-3-(1-cyanopiperidin-4-yl)iminoprop-1-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(Z)-1-amino-3-(1-cyanopiperidin-4-yl)iminoprop-1-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(Z)-1-amino-3-(1-cyanopiperidin-4-yl)iminoprop-1-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile is COc1cc(C(=C/N)/C=N/C2CCN(C#N)CC2)cn2ncc(C#N)c12.
What is the InChIKey of 6-[(Z)-1-amino-3-(1-cyanopiperidin-4-yl)iminoprop-1-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is DMCKTMASSJUQOZ-WYUFJTEYSA-N. The full InChI is InChI=1S/C18H19N7O/c1-26-17-6-13(11-25-18(17)15(8-20)10-23-25)14(7-19)9-22-16-2-4-24(12-21)5-3-16/h6-7,9-11,16H,2-5,19H2,1H3/b14-7+,22-9+.
What are the key properties of 6-[(Z)-1-amino-3-(1-cyanopiperidin-4-yl)iminoprop-1-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
6-[(Z)-1-amino-3-(1-cyanopiperidin-4-yl)iminoprop-1-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 349.40 g/mol, XLogP of 1.53, 4 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)iminoprop-1-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164921432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).