(E)-3-[4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide

C25H26FN5O2 — CID 126568548

IUPAC(E)-3-[4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cncc(F)c1-c1cnn(C2CC2)c1)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C25H26FN5O2/c26-23-15-27-13-19(25(23)20-14-28-31(17-20)22-6-7-22)3-8-24(32)29-21-4-1-18(2-5-21)16-30-9-11-33-12-10-30/h1-5,8,13-15,17,22H,6-7,9-12,16H2,(H,29,32)/b8-3+
InChIKeySPFRZBQLMQBEJM-FPYGCLRLSA-N
MW447.51 g/mol
LogP3.90
Rot. Bonds7

About (E)-3-[4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide

(E)-3-[4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide (PubChem CID 126568548) has the molecular formula C25H26FN5O2 and a molecular weight of 447.51 g/mol. Its IUPAC name is (E)-3-[4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
PubChem CID126568548
Molecular FormulaC25H26FN5O2
Molecular Weight447.51 g/mol
Exact Mass447.21
IUPAC Name(E)-3-[4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cncc(F)c1-c1cnn(C2CC2)c1)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C25H26FN5O2/c26-23-15-27-13-19(25(23)20-14-28-31(17-20)22-6-7-22)3-8-24(32)29-21-4-1-18(2-5-21)16-30-9-11-33-12-10-30/h1-5,8,13-15,17,22H,6-7,9-12,16H2,(H,29,32)/b8-3+
InChIKeySPFRZBQLMQBEJM-FPYGCLRLSA-N
XLogP3.90
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 53.90
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
(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-(difluoromethyl)pyrazol-4-yl]pyridin-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 126568459
(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-benzylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 126568590
3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 126568659

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-[4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide (CID 126568548) is (E)-3-[4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide is O=C(/C=C/c1cncc(F)c1-c1cnn(C2CC2)c1)Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of (E)-3-[4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide?
The InChIKey is SPFRZBQLMQBEJM-FPYGCLRLSA-N. The full InChI is InChI=1S/C25H26FN5O2/c26-23-15-27-13-19(25(23)20-14-28-31(17-20)22-6-7-22)3-8-24(32)29-21-4-1-18(2-5-21)16-30-9-11-33-12-10-30/h1-5,8,13-15,17,22H,6-7,9-12,16H2,(H,29,32)/b8-3+.
What are the key properties of (E)-3-[4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide?
(E)-3-[4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide has a molecular weight of 447.51 g/mol, XLogP of 3.90, 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-cyclopropylpyrazol-4-yl)-5-fluoro-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 126568548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).