CID 59482344

C27H40N6O4 — CID 59482344

IUPAC—
SMILESCC1(C)CC(Nc2nc(Oc3ccccc3)nc(OC3CC(C)(C)N([O])C(C)(C)C3)n2)CC(C)(C)N1[O]
InChIInChI=1S/C27H40N6O4/c1-24(2)14-18(15-25(3,4)32(24)34)28-21-29-22(36-19-12-10-9-11-13-19)31-23(30-21)37-20-16-26(5,6)33(35)27(7,8)17-20/h9-13,18,20H,14-17H2,1-8H3,(H,28,29,30,31)
InChIKeyJWFGWBFORUWRGC-UHFFFAOYSA-N
MW512.66 g/mol
LogP5.19
Rot. Bonds6

About CID 59482344

CID 59482344 (PubChem CID 59482344) has the molecular formula C27H40N6O4 and a molecular weight of 512.66 g/mol.

Molecular Properties

Compound NameCID 59482344
PubChem CID59482344
Molecular FormulaC27H40N6O4
Molecular Weight512.66 g/mol
Exact Mass512.31
IUPAC Name—
SMILESCC1(C)CC(Nc2nc(Oc3ccccc3)nc(OC3CC(C)(C)N([O])C(C)(C)C3)n2)CC(C)(C)N1[O]
InChIInChI=1S/C27H40N6O4/c1-24(2)14-18(15-25(3,4)32(24)34)28-21-29-22(36-19-12-10-9-11-13-19)31-23(30-21)37-20-16-26(5,6)33(35)27(7,8)17-20/h9-13,18,20H,14-17H2,1-8H3,(H,28,29,30,31)
InChIKeyJWFGWBFORUWRGC-UHFFFAOYSA-N
XLogP5.19
TPSA115.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.66
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of CID 59482344?
The IUPAC name of CID 59482344 (CID 59482344) is not available.
What is the SMILES notation for CID 59482344?
The canonical SMILES for CID 59482344 is CC1(C)CC(Nc2nc(Oc3ccccc3)nc(OC3CC(C)(C)N([O])C(C)(C)C3)n2)CC(C)(C)N1[O].
What is the InChIKey of CID 59482344?
The InChIKey is JWFGWBFORUWRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N6O4/c1-24(2)14-18(15-25(3,4)32(24)34)28-21-29-22(36-19-12-10-9-11-13-19)31-23(30-21)37-20-16-26(5,6)33(35)27(7,8)17-20/h9-13,18,20H,14-17H2,1-8H3,(H,28,29,30,31).
What are the key properties of CID 59482344?
CID 59482344 has a molecular weight of 512.66 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59482344 is sourced from PubChem (CID 59482344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).