CID 140897852

C23H28N4O2 — CID 140897852

IUPAC—
SMILES[2H]C1([2H])OC(N)=N[C@@]12c1cc(-c3cncnc3C)ccc1C[C@@]21CC[C@H](OC)[C@@H](C)C1
InChIInChI=1S/C23H28N4O2/c1-14-9-22(7-6-20(14)28-3)10-17-5-4-16(18-11-25-13-26-15(18)2)8-19(17)23(22)12-29-21(24)27-23/h4-5,8,11,13-14,20H,6-7,9-10,12H2,1-3H3,(H2,24,27)/t14-,20-,22-,23+/m0/s1/i12D2
InChIKeyUZYXZILEDYHVHO-NUOLCXHXSA-N
MW394.52 g/mol
LogP3.37
Rot. Bonds2

About CID 140897852

CID 140897852 (PubChem CID 140897852) has the molecular formula C23H28N4O2 and a molecular weight of 394.52 g/mol.

Molecular Properties

Compound NameCID 140897852
PubChem CID140897852
Molecular FormulaC23H28N4O2
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name—
SMILES[2H]C1([2H])OC(N)=N[C@@]12c1cc(-c3cncnc3C)ccc1C[C@@]21CC[C@H](OC)[C@@H](C)C1
InChIInChI=1S/C23H28N4O2/c1-14-9-22(7-6-20(14)28-3)10-17-5-4-16(18-11-25-13-26-15(18)2)8-19(17)23(22)12-29-21(24)27-23/h4-5,8,11,13-14,20H,6-7,9-10,12H2,1-3H3,(H2,24,27)/t14-,20-,22-,23+/m0/s1/i12D2
InChIKeyUZYXZILEDYHVHO-NUOLCXHXSA-N
XLogP3.37
TPSA82.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 140897852?
The IUPAC name of CID 140897852 (CID 140897852) is not available.
What is the SMILES notation for CID 140897852?
The canonical SMILES for CID 140897852 is [2H]C1([2H])OC(N)=N[C@@]12c1cc(-c3cncnc3C)ccc1C[C@@]21CC[C@H](OC)[C@@H](C)C1.
What is the InChIKey of CID 140897852?
The InChIKey is UZYXZILEDYHVHO-NUOLCXHXSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-14-9-22(7-6-20(14)28-3)10-17-5-4-16(18-11-25-13-26-15(18)2)8-19(17)23(22)12-29-21(24)27-23/h4-5,8,11,13-14,20H,6-7,9-10,12H2,1-3H3,(H2,24,27)/t14-,20-,22-,23+/m0/s1/i12D2.
What are the key properties of CID 140897852?
CID 140897852 has a molecular weight of 394.52 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140897852 is sourced from PubChem (CID 140897852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).