CID 59482502

C27H39N5O5 — CID 59482502

IUPAC—
SMILESCC1(C)CC(Oc2nc(Oc3ccccc3)nc(OC3CC(C)(C)N([O])C(C)(C)C3)n2)CC(C)(C)N1[O]
InChIInChI=1S/C27H39N5O5/c1-24(2)14-19(15-25(3,4)31(24)33)36-22-28-21(35-18-12-10-9-11-13-18)29-23(30-22)37-20-16-26(5,6)32(34)27(7,8)17-20/h9-13,19-20H,14-17H2,1-8H3
InChIKeyMFPIUVMRSGCLTB-UHFFFAOYSA-N
MW513.64 g/mol
LogP5.16
Rot. Bonds6

About CID 59482502

CID 59482502 (PubChem CID 59482502) has the molecular formula C27H39N5O5 and a molecular weight of 513.64 g/mol.

Molecular Properties

Compound NameCID 59482502
PubChem CID59482502
Molecular FormulaC27H39N5O5
Molecular Weight513.64 g/mol
Exact Mass513.30
IUPAC Name—
SMILESCC1(C)CC(Oc2nc(Oc3ccccc3)nc(OC3CC(C)(C)N([O])C(C)(C)C3)n2)CC(C)(C)N1[O]
InChIInChI=1S/C27H39N5O5/c1-24(2)14-19(15-25(3,4)31(24)33)36-22-28-21(35-18-12-10-9-11-13-18)29-23(30-22)37-20-16-26(5,6)32(34)27(7,8)17-20/h9-13,19-20H,14-17H2,1-8H3
InChIKeyMFPIUVMRSGCLTB-UHFFFAOYSA-N
XLogP5.16
TPSA112.64 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.64
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of CID 59482502?
The IUPAC name of CID 59482502 (CID 59482502) is not available.
What is the SMILES notation for CID 59482502?
The canonical SMILES for CID 59482502 is CC1(C)CC(Oc2nc(Oc3ccccc3)nc(OC3CC(C)(C)N([O])C(C)(C)C3)n2)CC(C)(C)N1[O].
What is the InChIKey of CID 59482502?
The InChIKey is MFPIUVMRSGCLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N5O5/c1-24(2)14-19(15-25(3,4)31(24)33)36-22-28-21(35-18-12-10-9-11-13-18)29-23(30-22)37-20-16-26(5,6)32(34)27(7,8)17-20/h9-13,19-20H,14-17H2,1-8H3.
What are the key properties of CID 59482502?
CID 59482502 has a molecular weight of 513.64 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59482502 is sourced from PubChem (CID 59482502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).