CID 71023165

C29H33Cl2FN4O3 — CID 71023165

IUPAC—
SMILESO=C(NCCN1CCOCC1)[C@@H]1NC2(CCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
InChIInChI=1S/C29H33Cl2FN4O3/c30-18-7-8-20-22(17-18)34-27(38)29(20)23(19-5-4-6-21(31)24(19)32)25(35-28(29)9-2-1-3-10-28)26(37)33-11-12-36-13-15-39-16-14-36/h4-8,17,23,25,35H,1-3,9-16H2,(H,33,37)(H,34,38)/t23-,25+,29+/m0/s1
InChIKeyZULOPCMLZWFEKU-ZLZBJJAKSA-N
MW575.51 g/mol
LogP4.23
Rot. Bonds5

About CID 71023165

CID 71023165 (PubChem CID 71023165) has the molecular formula C29H33Cl2FN4O3 and a molecular weight of 575.51 g/mol.

Molecular Properties

Compound NameCID 71023165
PubChem CID71023165
Molecular FormulaC29H33Cl2FN4O3
Molecular Weight575.51 g/mol
Exact Mass574.19
IUPAC Name—
SMILESO=C(NCCN1CCOCC1)[C@@H]1NC2(CCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
InChIInChI=1S/C29H33Cl2FN4O3/c30-18-7-8-20-22(17-18)34-27(38)29(20)23(19-5-4-6-21(31)24(19)32)25(35-28(29)9-2-1-3-10-28)26(37)33-11-12-36-13-15-39-16-14-36/h4-8,17,23,25,35H,1-3,9-16H2,(H,33,37)(H,34,38)/t23-,25+,29+/m0/s1
InChIKeyZULOPCMLZWFEKU-ZLZBJJAKSA-N
XLogP4.23
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.51
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze CID 71023165 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 CID 71023165?
The IUPAC name of CID 71023165 (CID 71023165) is not available.
What is the SMILES notation for CID 71023165?
The canonical SMILES for CID 71023165 is O=C(NCCN1CCOCC1)[C@@H]1NC2(CCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F.
What is the InChIKey of CID 71023165?
The InChIKey is ZULOPCMLZWFEKU-ZLZBJJAKSA-N. The full InChI is InChI=1S/C29H33Cl2FN4O3/c30-18-7-8-20-22(17-18)34-27(38)29(20)23(19-5-4-6-21(31)24(19)32)25(35-28(29)9-2-1-3-10-28)26(37)33-11-12-36-13-15-39-16-14-36/h4-8,17,23,25,35H,1-3,9-16H2,(H,33,37)(H,34,38)/t23-,25+,29+/m0/s1.
What are the key properties of CID 71023165?
CID 71023165 has a molecular weight of 575.51 g/mol, XLogP of 4.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71023165 is sourced from PubChem (CID 71023165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).