(E)-N-hydroxy-3-[2-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)-1,3-dihydroisoindol-5-yl]prop-2-enamide

C20H20N4O2 — CID 24959168

IUPAC(E)-N-hydroxy-3-[2-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)-1,3-dihydroisoindol-5-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CN(CCc1cnn3ccccc13)C2)NO
InChIInChI=1S/C20H20N4O2/c25-20(22-26)7-5-15-4-6-17-13-23(14-18(17)11-15)10-8-16-12-21-24-9-2-1-3-19(16)24/h1-7,9,11-12,26H,8,10,13-14H2,(H,22,25)/b7-5+
InChIKeyKMTIRMHMRODSJK-FNORWQNLSA-N
MW348.41 g/mol
LogP2.41
Rot. Bonds5

About (E)-N-hydroxy-3-[2-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)-1,3-dihydroisoindol-5-yl]prop-2-enamide

(E)-N-hydroxy-3-[2-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)-1,3-dihydroisoindol-5-yl]prop-2-enamide (PubChem CID 24959168) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[2-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)-1,3-dihydroisoindol-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[2-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)-1,3-dihydroisoindol-5-yl]prop-2-enamide
PubChem CID24959168
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name(E)-N-hydroxy-3-[2-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)-1,3-dihydroisoindol-5-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CN(CCc1cnn3ccccc13)C2)NO
InChIInChI=1S/C20H20N4O2/c25-20(22-26)7-5-15-4-6-17-13-23(14-18(17)11-15)10-8-16-12-21-24-9-2-1-3-19(16)24/h1-7,9,11-12,26H,8,10,13-14H2,(H,22,25)/b7-5+
InChIKeyKMTIRMHMRODSJK-FNORWQNLSA-N
XLogP2.41
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1H-isoindol-1-one
CID 25093327
Pyrazole-based inhibitor, 31
CID 135399664
(NE)-N-[5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 11616462
(NE)-N-[5-[1-(3-aminopropyl)-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 11660270
(E)-N-hydroxy-3-[4-[1-[2-(2-pyridin-3-ylpyrazolo[1,5-a]pyridin-3-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide
CID 44234773
(NE)-N-[5-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 44586991
(E)-N-hydroxy-3-[4-[1-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide
CID 87290521
(E)-N-hydroxy-3-[4-[1-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)pyrrolidin-2-yl]phenyl]prop-2-enamide
CID 87290634
(NE)-N-[5-(1-methyl-5-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 135508240
(E)-N-hydroxy-3-[4-[[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 44205087
(NE)-N-[5-[1-[3-(dimethylamino)propyl]-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 44587211
(E)-3-[4-[[2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)ethyl-propan-2-ylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 53363092

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[2-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)-1,3-dihydroisoindol-5-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[2-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)-1,3-dihydroisoindol-5-yl]prop-2-enamide (CID 24959168) is (E)-N-hydroxy-3-[2-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)-1,3-dihydroisoindol-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[2-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)-1,3-dihydroisoindol-5-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[2-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)-1,3-dihydroisoindol-5-yl]prop-2-enamide is O=C(/C=C/c1ccc2c(c1)CN(CCc1cnn3ccccc13)C2)NO.
What is the InChIKey of (E)-N-hydroxy-3-[2-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)-1,3-dihydroisoindol-5-yl]prop-2-enamide?
The InChIKey is KMTIRMHMRODSJK-FNORWQNLSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-20(22-26)7-5-15-4-6-17-13-23(14-18(17)11-15)10-8-16-12-21-24-9-2-1-3-19(16)24/h1-7,9,11-12,26H,8,10,13-14H2,(H,22,25)/b7-5+.
What are the key properties of (E)-N-hydroxy-3-[2-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)-1,3-dihydroisoindol-5-yl]prop-2-enamide?
(E)-N-hydroxy-3-[2-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)-1,3-dihydroisoindol-5-yl]prop-2-enamide has a molecular weight of 348.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[2-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)-1,3-dihydroisoindol-5-yl]prop-2-enamide is sourced from PubChem (CID 24959168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).