6-[(Z)-3-[(1-cyano-5,5-dimethylpyrrolidin-3-yl)methylideneamino]-1-iminobut-2-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile

C21H23N7O — CID 164920397

IUPAC6-[(Z)-3-[(1-cyano-5,5-dimethylpyrrolidin-3-yl)methylideneamino]-1-iminobut-2-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILES[H]/N=C/C(=C(C)\N=C\C1CN(C#N)C(C)(C)C1)c1cc(OC)c2c(C#N)cnn2c1
InChIInChI=1S/C21H23N7O/c1-14(25-9-15-6-21(2,3)27(11-15)13-24)18(8-23)16-5-19(29-4)20-17(7-22)10-26-28(20)12-16/h5,8-10,12,15,23H,6,11H2,1-4H3/b18-14+,23-8+,25-9+
InChIKeyHHJWFVOXIFSSQA-CLHNXFNESA-N
MW389.46 g/mol
LogP3.25
Rot. Bonds5

About 6-[(Z)-3-[(1-cyano-5,5-dimethylpyrrolidin-3-yl)methylideneamino]-1-iminobut-2-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile

6-[(Z)-3-[(1-cyano-5,5-dimethylpyrrolidin-3-yl)methylideneamino]-1-iminobut-2-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 164920397) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is 6-[(Z)-3-[(1-cyano-5,5-dimethylpyrrolidin-3-yl)methylideneamino]-1-iminobut-2-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(Z)-3-[(1-cyano-5,5-dimethylpyrrolidin-3-yl)methylideneamino]-1-iminobut-2-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID164920397
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name6-[(Z)-3-[(1-cyano-5,5-dimethylpyrrolidin-3-yl)methylideneamino]-1-iminobut-2-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILES[H]/N=C/C(=C(C)\N=C\C1CN(C#N)C(C)(C)C1)c1cc(OC)c2c(C#N)cnn2c1
InChIInChI=1S/C21H23N7O/c1-14(25-9-15-6-21(2,3)27(11-15)13-24)18(8-23)16-5-19(29-4)20-17(7-22)10-26-28(20)12-16/h5,8-10,12,15,23H,6,11H2,1-4H3/b18-14+,23-8+,25-9+
InChIKeyHHJWFVOXIFSSQA-CLHNXFNESA-N
XLogP3.25
TPSA113.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.25
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

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-[(Z)-1-amino-3-(1-cyanopiperidin-4-yl)iminoprop-1-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164921432
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
6-(2-hydroxy-2-methylpropoxy)-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 138521644
6-[1-[1-(1-cyanopiperidin-4-yl)azetidin-3-yl]-5-methyltriazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164920703
4-methoxy-6-[5-methyl-1-[1-[(3R)-1-methylpyrrolidin-3-yl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164921421
4-methoxy-6-[5-methyl-1-(1-prop-2-enoylazetidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171074750
4-methoxy-6-[6-[2-(1-prop-2-enoylazetidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 163673367
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-[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
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-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-[1-(1-propan-2-yltriazol-4-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164920905

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-3-[(1-cyano-5,5-dimethylpyrrolidin-3-yl)methylideneamino]-1-iminobut-2-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-[(Z)-3-[(1-cyano-5,5-dimethylpyrrolidin-3-yl)methylideneamino]-1-iminobut-2-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile (CID 164920397) is 6-[(Z)-3-[(1-cyano-5,5-dimethylpyrrolidin-3-yl)methylideneamino]-1-iminobut-2-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(Z)-3-[(1-cyano-5,5-dimethylpyrrolidin-3-yl)methylideneamino]-1-iminobut-2-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(Z)-3-[(1-cyano-5,5-dimethylpyrrolidin-3-yl)methylideneamino]-1-iminobut-2-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile is [H]/N=C/C(=C(C)\N=C\C1CN(C#N)C(C)(C)C1)c1cc(OC)c2c(C#N)cnn2c1.
What is the InChIKey of 6-[(Z)-3-[(1-cyano-5,5-dimethylpyrrolidin-3-yl)methylideneamino]-1-iminobut-2-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is HHJWFVOXIFSSQA-CLHNXFNESA-N. The full InChI is InChI=1S/C21H23N7O/c1-14(25-9-15-6-21(2,3)27(11-15)13-24)18(8-23)16-5-19(29-4)20-17(7-22)10-26-28(20)12-16/h5,8-10,12,15,23H,6,11H2,1-4H3/b18-14+,23-8+,25-9+.
What are the key properties of 6-[(Z)-3-[(1-cyano-5,5-dimethylpyrrolidin-3-yl)methylideneamino]-1-iminobut-2-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
6-[(Z)-3-[(1-cyano-5,5-dimethylpyrrolidin-3-yl)methylideneamino]-1-iminobut-2-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 389.46 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-3-[(1-cyano-5,5-dimethylpyrrolidin-3-yl)methylideneamino]-1-iminobut-2-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164920397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).