CID 101023241

C24H23N4O5P — CID 101023241

IUPAC—
SMILESCCOP(=O)(OCC)C1=C(N)[C@@H](C#N)C2(C(=O)Nc3ccccc32)C12C(=O)Nc1ccccc12
InChIInChI=1S/C24H23N4O5P/c1-3-32-34(31,33-4-2)20-19(26)16(13-25)23(14-9-5-7-11-17(14)27-21(23)29)24(20)15-10-6-8-12-18(15)28-22(24)30/h5-12,16H,3-4,26H2,1-2H3,(H,27,29)(H,28,30)/t16-,23?,24?/m1/s1
InChIKeyBYTIKKLACCPHNA-INTLSFHXSA-N
MW478.45 g/mol
LogP3.36
Rot. Bonds5

About CID 101023241

CID 101023241 (PubChem CID 101023241) has the molecular formula C24H23N4O5P and a molecular weight of 478.45 g/mol.

Molecular Properties

Compound NameCID 101023241
PubChem CID101023241
Molecular FormulaC24H23N4O5P
Molecular Weight478.45 g/mol
Exact Mass478.14
IUPAC Name—
SMILESCCOP(=O)(OCC)C1=C(N)[C@@H](C#N)C2(C(=O)Nc3ccccc32)C12C(=O)Nc1ccccc12
InChIInChI=1S/C24H23N4O5P/c1-3-32-34(31,33-4-2)20-19(26)16(13-25)23(14-9-5-7-11-17(14)27-21(23)29)24(20)15-10-6-8-12-18(15)28-22(24)30/h5-12,16H,3-4,26H2,1-2H3,(H,27,29)(H,28,30)/t16-,23?,24?/m1/s1
InChIKeyBYTIKKLACCPHNA-INTLSFHXSA-N
XLogP3.36
TPSA143.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.45
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 101023241?
The IUPAC name of CID 101023241 (CID 101023241) is not available.
What is the SMILES notation for CID 101023241?
The canonical SMILES for CID 101023241 is CCOP(=O)(OCC)C1=C(N)[C@@H](C#N)C2(C(=O)Nc3ccccc32)C12C(=O)Nc1ccccc12.
What is the InChIKey of CID 101023241?
The InChIKey is BYTIKKLACCPHNA-INTLSFHXSA-N. The full InChI is InChI=1S/C24H23N4O5P/c1-3-32-34(31,33-4-2)20-19(26)16(13-25)23(14-9-5-7-11-17(14)27-21(23)29)24(20)15-10-6-8-12-18(15)28-22(24)30/h5-12,16H,3-4,26H2,1-2H3,(H,27,29)(H,28,30)/t16-,23?,24?/m1/s1.
What are the key properties of CID 101023241?
CID 101023241 has a molecular weight of 478.45 g/mol, XLogP of 3.36, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101023241 is sourced from PubChem (CID 101023241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).