(E)-3-(furan-2-yl)-1-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one

C19H20N4O2 — CID 90571306

IUPAC(E)-3-(furan-2-yl)-1-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)N1CCN(Cc2cc3ccccn3n2)CC1
InChIInChI=1S/C19H20N4O2/c24-19(7-6-18-5-3-13-25-18)22-11-9-21(10-12-22)15-16-14-17-4-1-2-8-23(17)20-16/h1-8,13-14H,9-12,15H2/b7-6+
InChIKeyYERHDKVGAXVJSL-VOTSOKGWSA-N
MW336.40 g/mol
LogP2.28
Rot. Bonds4

About (E)-3-(furan-2-yl)-1-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one

(E)-3-(furan-2-yl)-1-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one (PubChem CID 90571306) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-1-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-1-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one
PubChem CID90571306
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name(E)-3-(furan-2-yl)-1-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)N1CCN(Cc2cc3ccccn3n2)CC1
InChIInChI=1S/C19H20N4O2/c24-19(7-6-18-5-3-13-25-18)22-11-9-21(10-12-22)15-16-14-17-4-1-2-8-23(17)20-16/h1-8,13-14H,9-12,15H2/b7-6+
InChIKeyYERHDKVGAXVJSL-VOTSOKGWSA-N
XLogP2.28
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(furan-2-yl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]prop-2-en-1-one
CID 51308010
2-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]piperazin-1-yl]acetic acid
CID 43521483
1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 91942902
3-(furan-2-yl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
CID 963828
[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 90571422
N-(2-fluorophenyl)-4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 90571599
(E)-3-(furan-2-yl)-1-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one
CID 71791218
3-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazine-1-carbonyl]benzonitrile
CID 90571532
2-(4-ethoxyphenoxy)-1-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 90571442
(3-methoxyphenyl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 90571382
2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 90571310
(Z)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(furan-2-yl)prop-2-en-1-one
CID 2166410

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-1-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one?
The IUPAC name of (E)-3-(furan-2-yl)-1-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one (CID 90571306) is (E)-3-(furan-2-yl)-1-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-(furan-2-yl)-1-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for (E)-3-(furan-2-yl)-1-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one is O=C(/C=C/c1ccco1)N1CCN(Cc2cc3ccccn3n2)CC1.
What is the InChIKey of (E)-3-(furan-2-yl)-1-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one?
The InChIKey is YERHDKVGAXVJSL-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-19(7-6-18-5-3-13-25-18)22-11-9-21(10-12-22)15-16-14-17-4-1-2-8-23(17)20-16/h1-8,13-14H,9-12,15H2/b7-6+.
What are the key properties of (E)-3-(furan-2-yl)-1-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one?
(E)-3-(furan-2-yl)-1-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one has a molecular weight of 336.40 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-1-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 90571306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).