CID 58197433

C26H29FN4O3 — CID 58197433

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(-c3cncc(F)c3)cc1C21N=C(N)N(CC2CCO2)C1=O
InChIInChI=1S/C26H29FN4O3/c1-33-20-4-7-25(8-5-20)12-17-3-2-16(18-10-19(27)14-29-13-18)11-22(17)26(25)23(32)31(24(28)30-26)15-21-6-9-34-21/h2-3,10-11,13-14,20-21H,4-9,12,15H2,1H3,(H2,28,30)
InChIKeyIKBUZKRFZFXQIF-UHFFFAOYSA-N
MW464.54 g/mol
LogP3.16
Rot. Bonds4

About CID 58197433

CID 58197433 (PubChem CID 58197433) has the molecular formula C26H29FN4O3 and a molecular weight of 464.54 g/mol.

Molecular Properties

Compound NameCID 58197433
PubChem CID58197433
Molecular FormulaC26H29FN4O3
Molecular Weight464.54 g/mol
Exact Mass464.22
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(-c3cncc(F)c3)cc1C21N=C(N)N(CC2CCO2)C1=O
InChIInChI=1S/C26H29FN4O3/c1-33-20-4-7-25(8-5-20)12-17-3-2-16(18-10-19(27)14-29-13-18)11-22(17)26(25)23(32)31(24(28)30-26)15-21-6-9-34-21/h2-3,10-11,13-14,20-21H,4-9,12,15H2,1H3,(H2,28,30)
InChIKeyIKBUZKRFZFXQIF-UHFFFAOYSA-N
XLogP3.16
TPSA90.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 58197433?
The IUPAC name of CID 58197433 (CID 58197433) is not available.
What is the SMILES notation for CID 58197433?
The canonical SMILES for CID 58197433 is COC1CCC2(CC1)Cc1ccc(-c3cncc(F)c3)cc1C21N=C(N)N(CC2CCO2)C1=O.
What is the InChIKey of CID 58197433?
The InChIKey is IKBUZKRFZFXQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O3/c1-33-20-4-7-25(8-5-20)12-17-3-2-16(18-10-19(27)14-29-13-18)11-22(17)26(25)23(32)31(24(28)30-26)15-21-6-9-34-21/h2-3,10-11,13-14,20-21H,4-9,12,15H2,1H3,(H2,28,30).
What are the key properties of CID 58197433?
CID 58197433 has a molecular weight of 464.54 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197433 is sourced from PubChem (CID 58197433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).