CID 58424387

C25H23F3N4O2 — CID 58424387

IUPAC—
SMILESCN1C(=O)C2(CC3(CCCC(C(F)(F)F)C3)Oc3ccc(-c4cccc(C#N)c4)cc32)N=C1N
InChIInChI=1S/C25H23F3N4O2/c1-32-21(33)24(31-22(32)30)14-23(9-3-6-18(12-23)25(26,27)28)34-20-8-7-17(11-19(20)24)16-5-2-4-15(10-16)13-29/h2,4-5,7-8,10-11,18H,3,6,9,12,14H2,1H3,(H2,30,31)
InChIKeyGUBIANSDKCJVDA-UHFFFAOYSA-N
MW468.48 g/mol
LogP4.48
Rot. Bonds1

About CID 58424387

CID 58424387 (PubChem CID 58424387) has the molecular formula C25H23F3N4O2 and a molecular weight of 468.48 g/mol.

Molecular Properties

Compound NameCID 58424387
PubChem CID58424387
Molecular FormulaC25H23F3N4O2
Molecular Weight468.48 g/mol
Exact Mass468.18
IUPAC Name—
SMILESCN1C(=O)C2(CC3(CCCC(C(F)(F)F)C3)Oc3ccc(-c4cccc(C#N)c4)cc32)N=C1N
InChIInChI=1S/C25H23F3N4O2/c1-32-21(33)24(31-22(32)30)14-23(9-3-6-18(12-23)25(26,27)28)34-20-8-7-17(11-19(20)24)16-5-2-4-15(10-16)13-29/h2,4-5,7-8,10-11,18H,3,6,9,12,14H2,1H3,(H2,30,31)
InChIKeyGUBIANSDKCJVDA-UHFFFAOYSA-N
XLogP4.48
TPSA91.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.48
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 58424387?
The IUPAC name of CID 58424387 (CID 58424387) is not available.
What is the SMILES notation for CID 58424387?
The canonical SMILES for CID 58424387 is CN1C(=O)C2(CC3(CCCC(C(F)(F)F)C3)Oc3ccc(-c4cccc(C#N)c4)cc32)N=C1N.
What is the InChIKey of CID 58424387?
The InChIKey is GUBIANSDKCJVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O2/c1-32-21(33)24(31-22(32)30)14-23(9-3-6-18(12-23)25(26,27)28)34-20-8-7-17(11-19(20)24)16-5-2-4-15(10-16)13-29/h2,4-5,7-8,10-11,18H,3,6,9,12,14H2,1H3,(H2,30,31).
What are the key properties of CID 58424387?
CID 58424387 has a molecular weight of 468.48 g/mol, XLogP of 4.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58424387 is sourced from PubChem (CID 58424387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).