(E)-3-[4-[1-(azidomethyl)pyrazol-4-yl]-3-pyridinyl]-N-(3-chloro-4-morpholin-4-ylphenyl)prop-2-enamide

C22H21ClN8O2 — CID 130329115

IUPAC(E)-3-[4-[1-(azidomethyl)pyrazol-4-yl]-3-pyridinyl]-N-(3-chloro-4-morpholin-4-ylphenyl)prop-2-enamide
SMILES[N-]=[N+]=NCn1cc(-c2ccncc2/C=C/C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cn1
InChIInChI=1S/C22H21ClN8O2/c23-20-11-18(2-3-21(20)30-7-9-33-10-8-30)28-22(32)4-1-16-12-25-6-5-19(16)17-13-27-31(14-17)15-26-29-24/h1-6,11-14H,7-10,15H2,(H,28,32)/b4-1+
InChIKeyPAMDLCGNPGPXIP-DAFODLJHSA-N
MW464.92 g/mol
LogP4.35
Rot. Bonds7

About (E)-3-[4-[1-(azidomethyl)pyrazol-4-yl]-3-pyridinyl]-N-(3-chloro-4-morpholin-4-ylphenyl)prop-2-enamide

(E)-3-[4-[1-(azidomethyl)pyrazol-4-yl]-3-pyridinyl]-N-(3-chloro-4-morpholin-4-ylphenyl)prop-2-enamide (PubChem CID 130329115) has the molecular formula C22H21ClN8O2 and a molecular weight of 464.92 g/mol. Its IUPAC name is (E)-3-[4-[1-(azidomethyl)pyrazol-4-yl]-3-pyridinyl]-N-(3-chloro-4-morpholin-4-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[1-(azidomethyl)pyrazol-4-yl]-3-pyridinyl]-N-(3-chloro-4-morpholin-4-ylphenyl)prop-2-enamide
PubChem CID130329115
Molecular FormulaC22H21ClN8O2
Molecular Weight464.92 g/mol
Exact Mass464.15
IUPAC Name(E)-3-[4-[1-(azidomethyl)pyrazol-4-yl]-3-pyridinyl]-N-(3-chloro-4-morpholin-4-ylphenyl)prop-2-enamide
SMILES[N-]=[N+]=NCn1cc(-c2ccncc2/C=C/C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cn1
InChIInChI=1S/C22H21ClN8O2/c23-20-11-18(2-3-21(20)30-7-9-33-10-8-30)28-22(32)4-1-16-12-25-6-5-19(16)17-13-27-31(14-17)15-26-29-24/h1-6,11-14H,7-10,15H2,(H,28,32)/b4-1+
InChIKeyPAMDLCGNPGPXIP-DAFODLJHSA-N
XLogP4.35
TPSA121.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.92
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-[4-[1-(azidomethyl)pyrazol-4-yl]-3-pyridinyl]-N-(3-chloro-4-morpholin-4-ylphenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-[4-(1-benzylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 126568590
(E)-3-[4-(1-acetylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 126568457
(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-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[1-(2,2,2-trifluoroethyl)-2,3-dihydroindol-5-yl]prop-2-enamide
CID 126568394
(E)-N-[4-(hydroxymethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 126568458
(E)-3-[4-[1-(azidomethyl)pyrazol-4-yl]-3-pyridinyl]-N-[2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindol-5-yl]prop-2-enehydrazide
CID 130329724
(E)-N-[4-(3,3-difluoroazetidin-1-yl)phenyl]-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 126568522
(E)-3-[4-(2,3-dihydro-1H-triazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 146206201
(E)-N-[4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 126568469
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-chloro-3-pyridinyl)-N-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 126568380
(E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)prop-2-enamide
CID 126568593

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[1-(azidomethyl)pyrazol-4-yl]-3-pyridinyl]-N-(3-chloro-4-morpholin-4-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-[4-[1-(azidomethyl)pyrazol-4-yl]-3-pyridinyl]-N-(3-chloro-4-morpholin-4-ylphenyl)prop-2-enamide (CID 130329115) is (E)-3-[4-[1-(azidomethyl)pyrazol-4-yl]-3-pyridinyl]-N-(3-chloro-4-morpholin-4-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[4-[1-(azidomethyl)pyrazol-4-yl]-3-pyridinyl]-N-(3-chloro-4-morpholin-4-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-[4-[1-(azidomethyl)pyrazol-4-yl]-3-pyridinyl]-N-(3-chloro-4-morpholin-4-ylphenyl)prop-2-enamide is [N-]=[N+]=NCn1cc(-c2ccncc2/C=C/C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cn1.
What is the InChIKey of (E)-3-[4-[1-(azidomethyl)pyrazol-4-yl]-3-pyridinyl]-N-(3-chloro-4-morpholin-4-ylphenyl)prop-2-enamide?
The InChIKey is PAMDLCGNPGPXIP-DAFODLJHSA-N. The full InChI is InChI=1S/C22H21ClN8O2/c23-20-11-18(2-3-21(20)30-7-9-33-10-8-30)28-22(32)4-1-16-12-25-6-5-19(16)17-13-27-31(14-17)15-26-29-24/h1-6,11-14H,7-10,15H2,(H,28,32)/b4-1+.
What are the key properties of (E)-3-[4-[1-(azidomethyl)pyrazol-4-yl]-3-pyridinyl]-N-(3-chloro-4-morpholin-4-ylphenyl)prop-2-enamide?
(E)-3-[4-[1-(azidomethyl)pyrazol-4-yl]-3-pyridinyl]-N-(3-chloro-4-morpholin-4-ylphenyl)prop-2-enamide has a molecular weight of 464.92 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[1-(azidomethyl)pyrazol-4-yl]-3-pyridinyl]-N-(3-chloro-4-morpholin-4-ylphenyl)prop-2-enamide is sourced from PubChem (CID 130329115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).