4-[(1R)-1-cyclobutylethoxy]-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C23H28N6O — CID 164920807

IUPAC4-[(1R)-1-cyclobutylethoxy]-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1c(-c2cc(O[C@H](C)C3CCC3)c3c(C#N)cnn3c2)cnn1C1CCNCC1
InChIInChI=1S/C23H28N6O/c1-15-21(13-27-29(15)20-6-8-25-9-7-20)18-10-22(30-16(2)17-4-3-5-17)23-19(11-24)12-26-28(23)14-18/h10,12-14,16-17,20,25H,3-9H2,1-2H3/t16-/m1/s1
InChIKeyGYWDFPQAKXCWJA-MRXNPFEDSA-N
MW404.52 g/mol
LogP3.87
Rot. Bonds5

About 4-[(1R)-1-cyclobutylethoxy]-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[(1R)-1-cyclobutylethoxy]-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 164920807) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 4-[(1R)-1-cyclobutylethoxy]-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(1R)-1-cyclobutylethoxy]-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID164920807
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name4-[(1R)-1-cyclobutylethoxy]-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1c(-c2cc(O[C@H](C)C3CCC3)c3c(C#N)cnn3c2)cnn1C1CCNCC1
InChIInChI=1S/C23H28N6O/c1-15-21(13-27-29(15)20-6-8-25-9-7-20)18-10-22(30-16(2)17-4-3-5-17)23-19(11-24)12-26-28(23)14-18/h10,12-14,16-17,20,25H,3-9H2,1-2H3/t16-/m1/s1
InChIKeyGYWDFPQAKXCWJA-MRXNPFEDSA-N
XLogP3.87
TPSA80.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(1R)-1-cyclopropylethoxy]-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164921132
6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-4-(1-pyrazin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 174202123
6-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164921193
4-(4-chloro-2-cyanophenyl)sulfanyl-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848267
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
tert-butyl 4-[4-[3-cyano-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]piperidine-1-carboxylate
CID 164921131
tert-butyl 4-[4-[3-cyano-4-(1,1,1-trifluoropropan-2-yloxy)pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]piperidine-1-carboxylate
CID 174207032
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-[2-fluoro-6-(methylamino)phenyl]sulfanyl-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 175631745
6-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-4-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164920642
4-methoxy-6-[1-[1-[(3-methoxyazetidin-3-yl)methyl]piperidin-4-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;trihydrochloride
CID 164705096
4-[1-(7-fluoroisoquinolin-4-yl)ethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride
CID 175872816

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-cyclobutylethoxy]-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[(1R)-1-cyclobutylethoxy]-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 164920807) is 4-[(1R)-1-cyclobutylethoxy]-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[(1R)-1-cyclobutylethoxy]-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[(1R)-1-cyclobutylethoxy]-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1c(-c2cc(O[C@H](C)C3CCC3)c3c(C#N)cnn3c2)cnn1C1CCNCC1.
What is the InChIKey of 4-[(1R)-1-cyclobutylethoxy]-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is GYWDFPQAKXCWJA-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H28N6O/c1-15-21(13-27-29(15)20-6-8-25-9-7-20)18-10-22(30-16(2)17-4-3-5-17)23-19(11-24)12-26-28(23)14-18/h10,12-14,16-17,20,25H,3-9H2,1-2H3/t16-/m1/s1.
What are the key properties of 4-[(1R)-1-cyclobutylethoxy]-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[(1R)-1-cyclobutylethoxy]-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 404.52 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-cyclobutylethoxy]-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164920807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).