N-[7-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-9H-fluoren-2-yl]prop-2-enamide

C28H20N6O — CID 171521274

IUPACN-[7-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-9H-fluoren-2-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c(c1)Cc1cc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)ccc1-2
InChIInChI=1S/C28H20N6O/c1-3-27(35)32-23-5-7-25-19(10-23)9-18-8-17(4-6-24(18)25)26-11-20(22-14-30-33(2)15-22)16-34-28(26)21(12-29)13-31-34/h3-8,10-11,13-16H,1,9H2,2H3,(H,32,35)
InChIKeyJNNCGTWWSPGEKJ-UHFFFAOYSA-N
MW456.51 g/mol
LogP4.97
Rot. Bonds4

About N-[7-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-9H-fluoren-2-yl]prop-2-enamide

N-[7-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-9H-fluoren-2-yl]prop-2-enamide (PubChem CID 171521274) has the molecular formula C28H20N6O and a molecular weight of 456.51 g/mol. Its IUPAC name is N-[7-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-9H-fluoren-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[7-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-9H-fluoren-2-yl]prop-2-enamide
PubChem CID171521274
Molecular FormulaC28H20N6O
Molecular Weight456.51 g/mol
Exact Mass456.17
IUPAC NameN-[7-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-9H-fluoren-2-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c(c1)Cc1cc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)ccc1-2
InChIInChI=1S/C28H20N6O/c1-3-27(35)32-23-5-7-25-19(10-23)9-18-8-17(4-6-24(18)25)26-11-20(22-14-30-33(2)15-22)16-34-28(26)21(12-29)13-31-34/h3-8,10-11,13-16H,1,9H2,2H3,(H,32,35)
InChIKeyJNNCGTWWSPGEKJ-UHFFFAOYSA-N
XLogP4.97
TPSA88.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-4-carbonyl]phenyl]prop-2-enamide
CID 171521006
N-[[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]prop-2-enamide
CID 171521257
N-[2-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenoxy]ethyl]prop-2-enamide
CID 171521259
N-[1-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]-3-methylazetidin-3-yl]prop-2-enamide
CID 171521008
N-[3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyphenyl]prop-2-enamide
CID 171521078
N-[4-[[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidin-1-yl]methyl]phenyl]prop-2-enamide
CID 171521032
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
4-[4-[(2R,5S)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171521328
N-[4-[2-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]ethynyl]-2-[2-(dimethylamino)ethyl-methylamino]phenyl]prop-2-enamide
CID 171521089
6-(1-methylpyrazol-4-yl)-4-[6-(4-prop-1-enylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 175933963
methyl 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-methylpyrazole-5-carboxylate
CID 162752716
4-(6-heptan-2-yl-3-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155267217

Frequently Asked Questions

What is the IUPAC name of N-[7-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-9H-fluoren-2-yl]prop-2-enamide?
The IUPAC name of N-[7-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-9H-fluoren-2-yl]prop-2-enamide (CID 171521274) is N-[7-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-9H-fluoren-2-yl]prop-2-enamide.
What is the SMILES notation for N-[7-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-9H-fluoren-2-yl]prop-2-enamide?
The canonical SMILES for N-[7-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-9H-fluoren-2-yl]prop-2-enamide is C=CC(=O)Nc1ccc2c(c1)Cc1cc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)ccc1-2.
What is the InChIKey of N-[7-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-9H-fluoren-2-yl]prop-2-enamide?
The InChIKey is JNNCGTWWSPGEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N6O/c1-3-27(35)32-23-5-7-25-19(10-23)9-18-8-17(4-6-24(18)25)26-11-20(22-14-30-33(2)15-22)16-34-28(26)21(12-29)13-31-34/h3-8,10-11,13-16H,1,9H2,2H3,(H,32,35).
What are the key properties of N-[7-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-9H-fluoren-2-yl]prop-2-enamide?
N-[7-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-9H-fluoren-2-yl]prop-2-enamide has a molecular weight of 456.51 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-9H-fluoren-2-yl]prop-2-enamide is sourced from PubChem (CID 171521274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).