CID 134289484

C32H38Cl2FN5O3 — CID 134289484

IUPAC—
SMILESCN(C)C(=O)C1CC(NC(=O)C[C@@H]2NC3(CCC(C)(C)CC3)[C@@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2ccnc(Cl)c2F)C1
InChIInChI=1S/C32H38Cl2FN5O3/c1-30(2)8-10-31(11-9-30)32(21-6-5-18(33)15-22(21)38-29(32)43)25(20-7-12-36-27(34)26(20)35)23(39-31)16-24(41)37-19-13-17(14-19)28(42)40(3)4/h5-7,12,15,17,19,23,25,39H,8-11,13-14,16H2,1-4H3,(H,37,41)(H,38,43)/t17?,19?,23-,25-,32+/m0/s1
InChIKeyOWLYZYAZRZFFGK-UCMYFBOHSA-N
MW630.59 g/mol
LogP5.19
Rot. Bonds5

About CID 134289484

CID 134289484 (PubChem CID 134289484) has the molecular formula C32H38Cl2FN5O3 and a molecular weight of 630.59 g/mol.

Molecular Properties

Compound NameCID 134289484
PubChem CID134289484
Molecular FormulaC32H38Cl2FN5O3
Molecular Weight630.59 g/mol
Exact Mass629.23
IUPAC Name—
SMILESCN(C)C(=O)C1CC(NC(=O)C[C@@H]2NC3(CCC(C)(C)CC3)[C@@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2ccnc(Cl)c2F)C1
InChIInChI=1S/C32H38Cl2FN5O3/c1-30(2)8-10-31(11-9-30)32(21-6-5-18(33)15-22(21)38-29(32)43)25(20-7-12-36-27(34)26(20)35)23(39-31)16-24(41)37-19-13-17(14-19)28(42)40(3)4/h5-7,12,15,17,19,23,25,39H,8-11,13-14,16H2,1-4H3,(H,37,41)(H,38,43)/t17?,19?,23-,25-,32+/m0/s1
InChIKeyOWLYZYAZRZFFGK-UCMYFBOHSA-N
XLogP5.19
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.59
LogP ≤ 55.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze CID 134289484 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

CID 89051605
CID 89051605
CID 89051432
CID 89051432
CID 89051507
CID 89051507
CID 88931753
CID 88931753
Milademetan HCl
CID 89051342
CID 141460490
CID 141460490
CID 89051519
CID 89051519
CID 134289670
CID 134289670
CID 166753026
CID 166753026
SCHEMBL13276036
CID 86672602
LFFDLEZMJHUWFX-SAIQOWAYSA-N
CID 86672599
TWFKFVHSXJKVJU-SAIQOWAYSA-N
CID 86672600

Frequently Asked Questions

What is the IUPAC name of CID 134289484?
The IUPAC name of CID 134289484 (CID 134289484) is not available.
What is the SMILES notation for CID 134289484?
The canonical SMILES for CID 134289484 is CN(C)C(=O)C1CC(NC(=O)C[C@@H]2NC3(CCC(C)(C)CC3)[C@@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2ccnc(Cl)c2F)C1.
What is the InChIKey of CID 134289484?
The InChIKey is OWLYZYAZRZFFGK-UCMYFBOHSA-N. The full InChI is InChI=1S/C32H38Cl2FN5O3/c1-30(2)8-10-31(11-9-30)32(21-6-5-18(33)15-22(21)38-29(32)43)25(20-7-12-36-27(34)26(20)35)23(39-31)16-24(41)37-19-13-17(14-19)28(42)40(3)4/h5-7,12,15,17,19,23,25,39H,8-11,13-14,16H2,1-4H3,(H,37,41)(H,38,43)/t17?,19?,23-,25-,32+/m0/s1.
What are the key properties of CID 134289484?
CID 134289484 has a molecular weight of 630.59 g/mol, XLogP of 5.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134289484 is sourced from PubChem (CID 134289484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).