(E)-3-[4-[[2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide

C21H24N4O2 — CID 53364355

IUPAC(E)-3-[4-[[2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
SMILESCCc1nn2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C21H24N4O2/c1-2-19-18(20-5-3-4-14-25(20)23-19)12-13-22-15-17-8-6-16(7-9-17)10-11-21(26)24-27/h3-11,14,22,27H,2,12-13,15H2,1H3,(H,24,26)/b11-10+
InChIKeyMORZVCFYFONYMH-ZHACJKMWSA-N
MW364.45 g/mol
LogP2.75
Rot. Bonds8

About (E)-3-[4-[[2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide

(E)-3-[4-[[2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 53364355) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is (E)-3-[4-[[2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[[2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID53364355
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name(E)-3-[4-[[2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
SMILESCCc1nn2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C21H24N4O2/c1-2-19-18(20-5-3-4-14-25(20)23-19)12-13-22-15-17-8-6-16(7-9-17)10-11-21(26)24-27/h3-11,14,22,27H,2,12-13,15H2,1H3,(H,24,26)/b11-10+
InChIKeyMORZVCFYFONYMH-ZHACJKMWSA-N
XLogP2.75
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

6-Oxo-3-(2-phenylpyrazolo(1,5-a)pyridin-3-yl)-1(6H)-pyridazinebutanoic acid
CID 3035594
FR-194921
CID 9821511
Pyrazolopyridine, 46
CID 25138270
Pyrazolopyridine, 47
CID 25138271
(E)-N-hydroxy-3-[4-[[2-(1-methylindol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 11024529
N-[2-(2-methyl-8,9-dihydro-7H-cyclopenta[c]pyrazolo[1,5-a]pyridin-9-yl)ethyl]propanamide
CID 25025104
(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
N-[2-(2-methyl-8,9-dihydro-7H-cyclopenta[c]pyrazolo[1,5-a]pyridin-9-yl)ethyl]acetamide
CID 59145922
(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
(E)-N-hydroxy-3-[4-[[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 44205087
(E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]prop-2-enamide
CID 163183793

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[[2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[4-[[2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide (CID 53364355) is (E)-3-[4-[[2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[[2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[4-[[2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide is CCc1nn2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1.
What is the InChIKey of (E)-3-[4-[[2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is MORZVCFYFONYMH-ZHACJKMWSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-2-19-18(20-5-3-4-14-25(20)23-19)12-13-22-15-17-8-6-16(7-9-17)10-11-21(26)24-27/h3-11,14,22,27H,2,12-13,15H2,1H3,(H,24,26)/b11-10+.
What are the key properties of (E)-3-[4-[[2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[4-[[2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 364.45 g/mol, XLogP of 2.75, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[[2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 53364355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).