CID 59482350

C27H41N7O3 — CID 59482350

IUPAC—
SMILESCC1(C)CC(Nc2nc(NC3CC(C)(C)N([O])C(C)(C)C3)nc(Oc3ccccc3)n2)CC(C)(C)N1[O]
InChIInChI=1S/C27H41N7O3/c1-24(2)14-18(15-25(3,4)33(24)35)28-21-30-22(32-23(31-21)37-20-12-10-9-11-13-20)29-19-16-26(5,6)34(36)27(7,8)17-19/h9-13,18-19H,14-17H2,1-8H3,(H2,28,29,30,31,32)
InChIKeyALZMVPSQYXLZAY-UHFFFAOYSA-N
MW511.67 g/mol
LogP5.22
Rot. Bonds6

About CID 59482350

CID 59482350 (PubChem CID 59482350) has the molecular formula C27H41N7O3 and a molecular weight of 511.67 g/mol.

Molecular Properties

Compound NameCID 59482350
PubChem CID59482350
Molecular FormulaC27H41N7O3
Molecular Weight511.67 g/mol
Exact Mass511.33
IUPAC Name—
SMILESCC1(C)CC(Nc2nc(NC3CC(C)(C)N([O])C(C)(C)C3)nc(Oc3ccccc3)n2)CC(C)(C)N1[O]
InChIInChI=1S/C27H41N7O3/c1-24(2)14-18(15-25(3,4)33(24)35)28-21-30-22(32-23(31-21)37-20-12-10-9-11-13-20)29-19-16-26(5,6)34(36)27(7,8)17-19/h9-13,18-19H,14-17H2,1-8H3,(H2,28,29,30,31,32)
InChIKeyALZMVPSQYXLZAY-UHFFFAOYSA-N
XLogP5.22
TPSA118.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.67
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of CID 59482350?
The IUPAC name of CID 59482350 (CID 59482350) is not available.
What is the SMILES notation for CID 59482350?
The canonical SMILES for CID 59482350 is CC1(C)CC(Nc2nc(NC3CC(C)(C)N([O])C(C)(C)C3)nc(Oc3ccccc3)n2)CC(C)(C)N1[O].
What is the InChIKey of CID 59482350?
The InChIKey is ALZMVPSQYXLZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N7O3/c1-24(2)14-18(15-25(3,4)33(24)35)28-21-30-22(32-23(31-21)37-20-12-10-9-11-13-20)29-19-16-26(5,6)34(36)27(7,8)17-19/h9-13,18-19H,14-17H2,1-8H3,(H2,28,29,30,31,32).
What are the key properties of CID 59482350?
CID 59482350 has a molecular weight of 511.67 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59482350 is sourced from PubChem (CID 59482350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).