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

C23H23F2N5O2 — CID 126568459

IUPAC(E)-3-[4-[1-(difluoromethyl)pyrazol-4-yl]-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cnccc1-c1cnn(C(F)F)c1)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C23H23F2N5O2/c24-23(25)30-16-19(14-27-30)21-7-8-26-13-18(21)3-6-22(31)28-20-4-1-17(2-5-20)15-29-9-11-32-12-10-29/h1-8,13-14,16,23H,9-12,15H2,(H,28,31)/b6-3+
InChIKeyOZZYAWZFNLQDDK-ZZXKWVIFSA-N
MW439.47 g/mol
LogP3.82
Rot. Bonds7

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

(E)-3-[4-[1-(difluoromethyl)pyrazol-4-yl]-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide (PubChem CID 126568459) has the molecular formula C23H23F2N5O2 and a molecular weight of 439.47 g/mol. Its IUPAC name is (E)-3-[4-[1-(difluoromethyl)pyrazol-4-yl]-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[1-(difluoromethyl)pyrazol-4-yl]-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
PubChem CID126568459
Molecular FormulaC23H23F2N5O2
Molecular Weight439.47 g/mol
Exact Mass439.18
IUPAC Name(E)-3-[4-[1-(difluoromethyl)pyrazol-4-yl]-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cnccc1-c1cnn(C(F)F)c1)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C23H23F2N5O2/c24-23(25)30-16-19(14-27-30)21-7-8-26-13-18(21)3-6-22(31)28-20-4-1-17(2-5-20)15-29-9-11-32-12-10-29/h1-8,13-14,16,23H,9-12,15H2,(H,28,31)/b6-3+
InChIKeyOZZYAWZFNLQDDK-ZZXKWVIFSA-N
XLogP3.82
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 53.82
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

(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-(1H-pyrazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 126568496
N-[4-(morpholin-4-ylmethyl)phenyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 5309237
(E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-phenylprop-2-enamide
CID 125487493
(E)-3-[6-amino-4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 126568381
(E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-7-yl]prop-2-enamide
CID 126568395
(E)-N-[4-[(3,3-difluoroazetidin-1-yl)methyl]phenyl]-3-[4-(1-methylpyrazol-4-yl)pyridin-3-yl]prop-2-enamide
CID 126568404
N-[4-(3,3-Difluoro-1-azetidinylmethyl)phenyl]-3-[4-(1-cyclopropyl-1H-pyrazole-4-yl)-3-pyridinyl]acrylamide
CID 126568413
(E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)phenyl]prop-2-enamide
CID 126568428
(E)-3-[4-(1-cyclopropylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 126568463
(E)-3-[4-(1-cyclopropylpyrazol-4-yl)-3-pyridinyl]-N-[2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-6-yl]prop-2-enamide
CID 126568509
(E)-3-[4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 126568548
(E)-3-[4-(1-benzylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 126568590

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[1-(difluoromethyl)pyrazol-4-yl]-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-[4-[1-(difluoromethyl)pyrazol-4-yl]-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide (CID 126568459) is (E)-3-[4-[1-(difluoromethyl)pyrazol-4-yl]-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-[1-(difluoromethyl)pyrazol-4-yl]-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-[1-(difluoromethyl)pyrazol-4-yl]-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide is O=C(/C=C/c1cnccc1-c1cnn(C(F)F)c1)Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of (E)-3-[4-[1-(difluoromethyl)pyrazol-4-yl]-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide?
The InChIKey is OZZYAWZFNLQDDK-ZZXKWVIFSA-N. The full InChI is InChI=1S/C23H23F2N5O2/c24-23(25)30-16-19(14-27-30)21-7-8-26-13-18(21)3-6-22(31)28-20-4-1-17(2-5-20)15-29-9-11-32-12-10-29/h1-8,13-14,16,23H,9-12,15H2,(H,28,31)/b6-3+.
What are the key properties of (E)-3-[4-[1-(difluoromethyl)pyrazol-4-yl]-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide?
(E)-3-[4-[1-(difluoromethyl)pyrazol-4-yl]-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide has a molecular weight of 439.47 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[1-(difluoromethyl)pyrazol-4-yl]-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 126568459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).