4-methoxy-6-[5-methyl-1-(1-prop-2-enoylazetidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C19H18N6O2 — CID 171074750

IUPAC4-methoxy-6-[5-methyl-1-(1-prop-2-enoylazetidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC=CC(=O)N1CC(n2ncc(-c3cc(OC)c4c(C#N)cnn4c3)c2C)C1
InChIInChI=1S/C19H18N6O2/c1-4-18(26)23-10-15(11-23)25-12(2)16(8-22-25)13-5-17(27-3)19-14(6-20)7-21-24(19)9-13/h4-5,7-9,15H,1,10-11H2,2-3H3
InChIKeyPXRGMHKJSISQTJ-UHFFFAOYSA-N
MW362.39 g/mol
LogP1.96
Rot. Bonds4

About 4-methoxy-6-[5-methyl-1-(1-prop-2-enoylazetidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-methoxy-6-[5-methyl-1-(1-prop-2-enoylazetidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171074750) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-methoxy-6-[5-methyl-1-(1-prop-2-enoylazetidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methoxy-6-[5-methyl-1-(1-prop-2-enoylazetidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID171074750
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name4-methoxy-6-[5-methyl-1-(1-prop-2-enoylazetidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC=CC(=O)N1CC(n2ncc(-c3cc(OC)c4c(C#N)cnn4c3)c2C)C1
InChIInChI=1S/C19H18N6O2/c1-4-18(26)23-10-15(11-23)25-12(2)16(8-22-25)13-5-17(27-3)19-14(6-20)7-21-24(19)9-13/h4-5,7-9,15H,1,10-11H2,2-3H3
InChIKeyPXRGMHKJSISQTJ-UHFFFAOYSA-N
XLogP1.96
TPSA88.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-6-[5-methyl-1-[1-(3-methyl-1-prop-2-enoylazetidine-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 154950958
N-[(1S,3S)-3-[4-[4-(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]cyclopentyl]prop-2-enamide
CID 171074913
4-methoxy-6-[5-methyl-1-[1-[(3R)-pyrrolidine-3-carbonyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 154951019
N-[1-[[4-[4-(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]methyl]cyclobutyl]prop-2-enamide
CID 171074861
6-[1-[1-[1-[(E)-but-2-enoyl]-3-fluoroazetidine-3-carbonyl]piperidin-4-yl]-5-methylpyrazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 175664815
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
6-[1-[1-[(E)-2-cyano-4-(oxan-4-ylidene)but-2-enoyl]piperidin-4-yl]-5-methylpyrazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171074797
6-[1-[1-[(2E,4Z)-5-amino-2-cyano-4-(methyliminomethyl)penta-2,4-dienoyl]piperidin-4-yl]-5-methylpyrazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171074759
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-[1-[1-[(E)-2-cyano-1-hydroxy-3-(oxan-4-yl)prop-2-enyl]piperidin-4-yl]-5-methylpyrazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171074881
tert-butyl (3R)-3-[3-[4-(3-cyano-4-hydroxypyrazolo[1,5-a]pyridin-6-yl)-5-methylpyrazol-1-yl]azetidin-1-yl]pyrrolidine-1-carboxylate
CID 164920886
methyl (3S)-3-[4-[3-cyano-4-[4-fluoro-2-[(methylideneamino)methyl]phenyl]sulfanylpyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]piperidine-1-carboxylate
CID 171847231

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[5-methyl-1-(1-prop-2-enoylazetidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-methoxy-6-[5-methyl-1-(1-prop-2-enoylazetidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171074750) is 4-methoxy-6-[5-methyl-1-(1-prop-2-enoylazetidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-methoxy-6-[5-methyl-1-(1-prop-2-enoylazetidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-methoxy-6-[5-methyl-1-(1-prop-2-enoylazetidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is C=CC(=O)N1CC(n2ncc(-c3cc(OC)c4c(C#N)cnn4c3)c2C)C1.
What is the InChIKey of 4-methoxy-6-[5-methyl-1-(1-prop-2-enoylazetidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is PXRGMHKJSISQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-4-18(26)23-10-15(11-23)25-12(2)16(8-22-25)13-5-17(27-3)19-14(6-20)7-21-24(19)9-13/h4-5,7-9,15H,1,10-11H2,2-3H3.
What are the key properties of 4-methoxy-6-[5-methyl-1-(1-prop-2-enoylazetidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-methoxy-6-[5-methyl-1-(1-prop-2-enoylazetidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 362.39 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[5-methyl-1-(1-prop-2-enoylazetidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171074750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).