CID 57386920

C25H27N5O — CID 57386920

IUPAC—
SMILESCCC1=NC2(N=C1N)c1cc(-c3cncc(C#N)c3)ccc1CC21CCC(OC)CC1
InChIInChI=1S/C25H27N5O/c1-3-22-23(27)30-25(29-22)21-11-17(19-10-16(13-26)14-28-15-19)4-5-18(21)12-24(25)8-6-20(31-2)7-9-24/h4-5,10-11,14-15,20H,3,6-9,12H2,1-2H3,(H2,27,30)
InChIKeyAEEPSMNZRMEZBF-UHFFFAOYSA-N
MW413.53 g/mol
LogP4.13
Rot. Bonds3

About CID 57386920

CID 57386920 (PubChem CID 57386920) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol.

Molecular Properties

Compound NameCID 57386920
PubChem CID57386920
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC Name—
SMILESCCC1=NC2(N=C1N)c1cc(-c3cncc(C#N)c3)ccc1CC21CCC(OC)CC1
InChIInChI=1S/C25H27N5O/c1-3-22-23(27)30-25(29-22)21-11-17(19-10-16(13-26)14-28-15-19)4-5-18(21)12-24(25)8-6-20(31-2)7-9-24/h4-5,10-11,14-15,20H,3,6-9,12H2,1-2H3,(H2,27,30)
InChIKeyAEEPSMNZRMEZBF-UHFFFAOYSA-N
XLogP4.13
TPSA96.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 57386920?
The IUPAC name of CID 57386920 (CID 57386920) is not available.
What is the SMILES notation for CID 57386920?
The canonical SMILES for CID 57386920 is CCC1=NC2(N=C1N)c1cc(-c3cncc(C#N)c3)ccc1CC21CCC(OC)CC1.
What is the InChIKey of CID 57386920?
The InChIKey is AEEPSMNZRMEZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c1-3-22-23(27)30-25(29-22)21-11-17(19-10-16(13-26)14-28-15-19)4-5-18(21)12-24(25)8-6-20(31-2)7-9-24/h4-5,10-11,14-15,20H,3,6-9,12H2,1-2H3,(H2,27,30).
What are the key properties of CID 57386920?
CID 57386920 has a molecular weight of 413.53 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57386920 is sourced from PubChem (CID 57386920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).