CID 168914210

C26H24FN6O2 — CID 168914210

IUPAC—
SMILESO=C(Nc1ccc(C2=NCCN2)cc1)c1ccc(C(=O)NC2=C[CH]C(C3=NCCN3)C=C2)c(F)c1
InChIInChI=1S/C26H24FN6O2/c27-22-15-18(25(34)32-19-6-1-16(2-7-19)23-28-11-12-29-23)5-10-21(22)26(35)33-20-8-3-17(4-9-20)24-30-13-14-31-24/h1-10,15,17H,11-14H2,(H,28,29)(H,30,31)(H,32,34)(H,33,35)
InChIKeyDEDHMNARABLIFC-UHFFFAOYSA-N
MW471.52 g/mol
LogP2.43
Rot. Bonds6

About CID 168914210

CID 168914210 (PubChem CID 168914210) has the molecular formula C26H24FN6O2 and a molecular weight of 471.52 g/mol.

Molecular Properties

Compound NameCID 168914210
PubChem CID168914210
Molecular FormulaC26H24FN6O2
Molecular Weight471.52 g/mol
Exact Mass471.19
IUPAC Name—
SMILESO=C(Nc1ccc(C2=NCCN2)cc1)c1ccc(C(=O)NC2=C[CH]C(C3=NCCN3)C=C2)c(F)c1
InChIInChI=1S/C26H24FN6O2/c27-22-15-18(25(34)32-19-6-1-16(2-7-19)23-28-11-12-29-23)5-10-21(22)26(35)33-20-8-3-17(4-9-20)24-30-13-14-31-24/h1-10,15,17H,11-14H2,(H,28,29)(H,30,31)(H,32,34)(H,33,35)
InChIKeyDEDHMNARABLIFC-UHFFFAOYSA-N
XLogP2.43
TPSA106.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 52.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 168914210?
The IUPAC name of CID 168914210 (CID 168914210) is not available.
What is the SMILES notation for CID 168914210?
The canonical SMILES for CID 168914210 is O=C(Nc1ccc(C2=NCCN2)cc1)c1ccc(C(=O)NC2=C[CH]C(C3=NCCN3)C=C2)c(F)c1.
What is the InChIKey of CID 168914210?
The InChIKey is DEDHMNARABLIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN6O2/c27-22-15-18(25(34)32-19-6-1-16(2-7-19)23-28-11-12-29-23)5-10-21(22)26(35)33-20-8-3-17(4-9-20)24-30-13-14-31-24/h1-10,15,17H,11-14H2,(H,28,29)(H,30,31)(H,32,34)(H,33,35).
What are the key properties of CID 168914210?
CID 168914210 has a molecular weight of 471.52 g/mol, XLogP of 2.43, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168914210 is sourced from PubChem (CID 168914210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).