C24H26N10O2 — CID 139953984

IUPAC—
SMILESCC1(C)C(C#N)=C2NC3(CCC4(CC3)NC3=C(C#N)C(C)(C)C(C#N)C(=O)N3N4)NN2C(=O)C1C#N
InChIInChI=1S/C24H26N10O2/c1-21(2)13(9-25)17-29-23(31-33(17)19(35)15(21)11-27)5-7-24(8-6-23)30-18-14(10-26)22(3,4)16(12-28)20(36)34(18)32-24/h15-16,29-32H,5-8H2,1-4H3
InChIKeyJEWDLXJPUGWJHU-UHFFFAOYSA-N
MW486.54 g/mol
LogP0.66
Rot. Bonds

About

(PubChem CID 139953984) has the molecular formula C24H26N10O2 and a molecular weight of 486.54 g/mol.

Molecular Properties

Compound Name
PubChem CID139953984
Molecular FormulaC24H26N10O2
Molecular Weight486.54 g/mol
Exact Mass486.22
IUPAC Name—
SMILESCC1(C)C(C#N)=C2NC3(CCC4(CC3)NC3=C(C#N)C(C)(C)C(C#N)C(=O)N3N4)NN2C(=O)C1C#N
InChIInChI=1S/C24H26N10O2/c1-21(2)13(9-25)17-29-23(31-33(17)19(35)15(21)11-27)5-7-24(8-6-23)30-18-14(10-26)22(3,4)16(12-28)20(36)34(18)32-24/h15-16,29-32H,5-8H2,1-4H3
InChIKeyJEWDLXJPUGWJHU-UHFFFAOYSA-N
XLogP0.66
TPSA183.90 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.54
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of ?
The IUPAC name of (CID 139953984) is not available.
What is the SMILES notation for ?
The canonical SMILES for is CC1(C)C(C#N)=C2NC3(CCC4(CC3)NC3=C(C#N)C(C)(C)C(C#N)C(=O)N3N4)NN2C(=O)C1C#N.
What is the InChIKey of ?
The InChIKey is JEWDLXJPUGWJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N10O2/c1-21(2)13(9-25)17-29-23(31-33(17)19(35)15(21)11-27)5-7-24(8-6-23)30-18-14(10-26)22(3,4)16(12-28)20(36)34(18)32-24/h15-16,29-32H,5-8H2,1-4H3.
What are the key properties of ?
has a molecular weight of 486.54 g/mol, XLogP of 0.66, 0 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for is sourced from PubChem (CID 139953984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).