(E)-3-[4-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]phenyl]-N-hydroxyprop-2-enamide

C23H23N7O2 — CID 137487429

IUPAC(E)-3-[4-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]phenyl]-N-hydroxyprop-2-enamide
SMILESCc1c2ccc(N(C)c3ccnc(Nc4ccc(/C=C/C(=O)NO)cc4)n3)cc2nn1C
InChIInChI=1S/C23H23N7O2/c1-15-19-10-9-18(14-20(19)27-30(15)3)29(2)21-12-13-24-23(26-21)25-17-7-4-16(5-8-17)6-11-22(31)28-32/h4-14,32H,1-3H3,(H,28,31)(H,24,25,26)/b11-6+
InChIKeyUEXVHDJCCOHWFE-IZZDOVSWSA-N
MW429.48 g/mol
LogP3.70
Rot. Bonds6

About (E)-3-[4-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]phenyl]-N-hydroxyprop-2-enamide

(E)-3-[4-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 137487429) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is (E)-3-[4-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]phenyl]-N-hydroxyprop-2-enamide
PubChem CID137487429
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name(E)-3-[4-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]phenyl]-N-hydroxyprop-2-enamide
SMILESCc1c2ccc(N(C)c3ccnc(Nc4ccc(/C=C/C(=O)NO)cc4)n3)cc2nn1C
InChIInChI=1S/C23H23N7O2/c1-15-19-10-9-18(14-20(19)27-30(15)3)29(2)21-12-13-24-23(26-21)25-17-7-4-16(5-8-17)6-11-22(31)28-32/h4-14,32H,1-3H3,(H,28,31)(H,24,25,26)/b11-6+
InChIKeyUEXVHDJCCOHWFE-IZZDOVSWSA-N
XLogP3.70
TPSA108.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-3-[4-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]phenyl]-N-hydroxyprop-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

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[4-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]phenyl]-N-hydroxyprop-2-enamide (CID 137487429) is (E)-3-[4-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[4-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]phenyl]-N-hydroxyprop-2-enamide is Cc1c2ccc(N(C)c3ccnc(Nc4ccc(/C=C/C(=O)NO)cc4)n3)cc2nn1C.
What is the InChIKey of (E)-3-[4-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is UEXVHDJCCOHWFE-IZZDOVSWSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-15-19-10-9-18(14-20(19)27-30(15)3)29(2)21-12-13-24-23(26-21)25-17-7-4-16(5-8-17)6-11-22(31)28-32/h4-14,32H,1-3H3,(H,28,31)(H,24,25,26)/b11-6+.
What are the key properties of (E)-3-[4-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[4-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 429.48 g/mol, XLogP of 3.70, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 137487429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).