CID 155514901

C26H30N7O5 — CID 155514901

IUPAC—
SMILESCC1(C)CC(NC(=O)c2ccc(Nc3ncc([N+](=O)[O-])c(Nc4cccc(O)c4)n3)cc2)CC(C)(C)N1[O]
InChIInChI=1S/C26H30N7O5/c1-25(2)13-19(14-26(3,4)33(25)38)29-23(35)16-8-10-17(11-9-16)30-24-27-15-21(32(36)37)22(31-24)28-18-6-5-7-20(34)12-18/h5-12,15,19,34H,13-14H2,1-4H3,(H,29,35)(H2,27,28,30,31)
InChIKeyIDGLADROFDGGQO-UHFFFAOYSA-N
MW520.57 g/mol
LogP4.67
Rot. Bonds7

About CID 155514901

CID 155514901 (PubChem CID 155514901) has the molecular formula C26H30N7O5 and a molecular weight of 520.57 g/mol.

Molecular Properties

Compound NameCID 155514901
PubChem CID155514901
Molecular FormulaC26H30N7O5
Molecular Weight520.57 g/mol
Exact Mass520.23
IUPAC Name—
SMILESCC1(C)CC(NC(=O)c2ccc(Nc3ncc([N+](=O)[O-])c(Nc4cccc(O)c4)n3)cc2)CC(C)(C)N1[O]
InChIInChI=1S/C26H30N7O5/c1-25(2)13-19(14-26(3,4)33(25)38)29-23(35)16-8-10-17(11-9-16)30-24-27-15-21(32(36)37)22(31-24)28-18-6-5-7-20(34)12-18/h5-12,15,19,34H,13-14H2,1-4H3,(H,29,35)(H2,27,28,30,31)
InChIKeyIDGLADROFDGGQO-UHFFFAOYSA-N
XLogP4.67
TPSA165.45 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.57
LogP ≤ 54.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze CID 155514901 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 155514901?
The IUPAC name of CID 155514901 (CID 155514901) is not available.
What is the SMILES notation for CID 155514901?
The canonical SMILES for CID 155514901 is CC1(C)CC(NC(=O)c2ccc(Nc3ncc([N+](=O)[O-])c(Nc4cccc(O)c4)n3)cc2)CC(C)(C)N1[O].
What is the InChIKey of CID 155514901?
The InChIKey is IDGLADROFDGGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N7O5/c1-25(2)13-19(14-26(3,4)33(25)38)29-23(35)16-8-10-17(11-9-16)30-24-27-15-21(32(36)37)22(31-24)28-18-6-5-7-20(34)12-18/h5-12,15,19,34H,13-14H2,1-4H3,(H,29,35)(H2,27,28,30,31).
What are the key properties of CID 155514901?
CID 155514901 has a molecular weight of 520.57 g/mol, XLogP of 4.67, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155514901 is sourced from PubChem (CID 155514901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).