(E)-3-[4-(1-acetylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide

C24H25N5O3 — CID 126568457

IUPAC(E)-3-[4-(1-acetylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
SMILESCC(=O)n1cc(-c2ccncc2/C=C/C(=O)Nc2ccc(CN3CCOCC3)cc2)cn1
InChIInChI=1S/C24H25N5O3/c1-18(30)29-17-21(15-26-29)23-8-9-25-14-20(23)4-7-24(31)27-22-5-2-19(3-6-22)16-28-10-12-32-13-11-28/h2-9,14-15,17H,10-13,16H2,1H3,(H,27,31)/b7-4+
InChIKeyPHCTUMFPVRWXEH-QPJJXVBHSA-N
MW431.50 g/mol
LogP3.09
Rot. Bonds6

About (E)-3-[4-(1-acetylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide

(E)-3-[4-(1-acetylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide (PubChem CID 126568457) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is (E)-3-[4-(1-acetylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(1-acetylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
PubChem CID126568457
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name(E)-3-[4-(1-acetylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
SMILESCC(=O)n1cc(-c2ccncc2/C=C/C(=O)Nc2ccc(CN3CCOCC3)cc2)cn1
InChIInChI=1S/C24H25N5O3/c1-18(30)29-17-21(15-26-29)23-8-9-25-14-20(23)4-7-24(31)27-22-5-2-19(3-6-22)16-28-10-12-32-13-11-28/h2-9,14-15,17H,10-13,16H2,1H3,(H,27,31)/b7-4+
InChIKeyPHCTUMFPVRWXEH-QPJJXVBHSA-N
XLogP3.09
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[4-(1-benzylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 126568590
(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-[1-(oxetan-3-yl)pyrazol-4-yl]-3-pyridinyl]prop-2-enamide
CID 126568589
(E)-3-[4-(2,3-dihydro-1H-triazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 146206201
(E)-3-[4-(2-methoxy-1,3-thiazol-5-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 126568570
(E)-N-[4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 126568469
(E)-3-[4-[3-(2-hydroxyethyl)benzimidazol-5-yl]-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 130329162
(E)-N-[4-(hydroxymethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 126568458
1-[[4-[[(E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enoyl]amino]phenyl]methyl]piperidine-3-carboxylic acid
CID 126568497
(E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[4-[(2-sulfanylethylamino)methyl]phenyl]prop-2-enamide
CID 146206057
(E)-3-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 130329617
(E)-N-[4-[(4-hydroxy-2-oxo-1,3-oxazolidin-5-yl)methyl]phenyl]-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 146205909
(E)-but-2-enedioic acid;(E)-3-[4-(1-cyclopropylpyrazol-4-yl)-3-pyridinyl]-N-[4-[(3,3-difluoroazetidin-1-yl)methyl]phenyl]prop-2-enamide
CID 162675406

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(1-acetylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-[4-(1-acetylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide (CID 126568457) is (E)-3-[4-(1-acetylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(1-acetylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-(1-acetylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide is CC(=O)n1cc(-c2ccncc2/C=C/C(=O)Nc2ccc(CN3CCOCC3)cc2)cn1.
What is the InChIKey of (E)-3-[4-(1-acetylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide?
The InChIKey is PHCTUMFPVRWXEH-QPJJXVBHSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-18(30)29-17-21(15-26-29)23-8-9-25-14-20(23)4-7-24(31)27-22-5-2-19(3-6-22)16-28-10-12-32-13-11-28/h2-9,14-15,17H,10-13,16H2,1H3,(H,27,31)/b7-4+.
What are the key properties of (E)-3-[4-(1-acetylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide?
(E)-3-[4-(1-acetylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide has a molecular weight of 431.50 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(1-acetylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 126568457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).