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6-(1-methylpyrazol-4-yl)-4-[4-[(1R,4R)-5-prop-2-enoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C26H23N7O — CID 171521120

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-(1-methylpyrazol-4-yl)-4-[4-[(1R,4R)-5-prop-2-enoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC=CC(=O)N1C[C@H]2C[C@@H]1CN2c1ccc(-c2cc(-c3cnn(C)c3)cn3ncc(C#N)c23)cc1
InChIInChI=1S/C26H23N7O/c1-3-25(34)32-16-22-9-23(32)15-31(22)21-6-4-17(5-7-21)24-8-18(20-12-28-30(2)13-20)14-33-26(24)19(10-27)11-29-33/h3-8,11-14,22-23H,1,9,15-16H2,2H3/t22-,23-/m1/s1
InChIKeyYECZRJDSRNWVBS-DHIUTWEWSA-N
MW449.52 g/mol
LogP3.25
Rot. Bonds4

About 6-(1-methylpyrazol-4-yl)-4-[4-[(1R,4R)-5-prop-2-enoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(1-methylpyrazol-4-yl)-4-[4-[(1R,4R)-5-prop-2-enoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171521120) has the molecular formula C26H23N7O and a molecular weight of 449.52 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-4-[4-[(1R,4R)-5-prop-2-enoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-4-[4-[(1R,4R)-5-prop-2-enoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID171521120
Molecular FormulaC26H23N7O
Molecular Weight449.52 g/mol
Exact Mass449.20
IUPAC Name6-(1-methylpyrazol-4-yl)-4-[4-[(1R,4R)-5-prop-2-enoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC=CC(=O)N1C[C@H]2C[C@@H]1CN2c1ccc(-c2cc(-c3cnn(C)c3)cn3ncc(C#N)c23)cc1
InChIInChI=1S/C26H23N7O/c1-3-25(34)32-16-22-9-23(32)15-31(22)21-6-4-17(5-7-21)24-8-18(20-12-28-30(2)13-20)14-33-26(24)19(10-27)11-29-33/h3-8,11-14,22-23H,1,9,15-16H2,2H3/t22-,23-/m1/s1
InChIKeyYECZRJDSRNWVBS-DHIUTWEWSA-N
XLogP3.25
TPSA82.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 53.25
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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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-4-[4-[(1R,4R)-5-prop-2-enoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-4-[4-[(1R,4R)-5-prop-2-enoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171521120) is 6-(1-methylpyrazol-4-yl)-4-[4-[(1R,4R)-5-prop-2-enoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-4-[4-[(1R,4R)-5-prop-2-enoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-4-[4-[(1R,4R)-5-prop-2-enoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is C=CC(=O)N1C[C@H]2C[C@@H]1CN2c1ccc(-c2cc(-c3cnn(C)c3)cn3ncc(C#N)c23)cc1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-4-[4-[(1R,4R)-5-prop-2-enoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is YECZRJDSRNWVBS-DHIUTWEWSA-N. The full InChI is InChI=1S/C26H23N7O/c1-3-25(34)32-16-22-9-23(32)15-31(22)21-6-4-17(5-7-21)24-8-18(20-12-28-30(2)13-20)14-33-26(24)19(10-27)11-29-33/h3-8,11-14,22-23H,1,9,15-16H2,2H3/t22-,23-/m1/s1.
What are the key properties of 6-(1-methylpyrazol-4-yl)-4-[4-[(1R,4R)-5-prop-2-enoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-(1-methylpyrazol-4-yl)-4-[4-[(1R,4R)-5-prop-2-enoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 449.52 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-4-[4-[(1R,4R)-5-prop-2-enoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171521120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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