CID 58197497

C27H26N4O — CID 58197497

IUPAC—
SMILESCN1C(=O)C2(N=C1N)c1cc(-c3cccnc3)ccc1CC21CCc2ccccc2CC1
InChIInChI=1S/C27H26N4O/c1-31-24(32)27(30-25(31)28)23-15-20(22-7-4-14-29-17-22)8-9-21(23)16-26(27)12-10-18-5-2-3-6-19(18)11-13-26/h2-9,14-15,17H,10-13,16H2,1H3,(H2,28,30)
InChIKeyJLOMMZLKXNYVMK-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.85
Rot. Bonds1

About CID 58197497

CID 58197497 (PubChem CID 58197497) has the molecular formula C27H26N4O and a molecular weight of 422.53 g/mol.

Molecular Properties

Compound NameCID 58197497
PubChem CID58197497
Molecular FormulaC27H26N4O
Molecular Weight422.53 g/mol
Exact Mass422.21
IUPAC Name—
SMILESCN1C(=O)C2(N=C1N)c1cc(-c3cccnc3)ccc1CC21CCc2ccccc2CC1
InChIInChI=1S/C27H26N4O/c1-31-24(32)27(30-25(31)28)23-15-20(22-7-4-14-29-17-22)8-9-21(23)16-26(27)12-10-18-5-2-3-6-19(18)11-13-26/h2-9,14-15,17H,10-13,16H2,1H3,(H2,28,30)
InChIKeyJLOMMZLKXNYVMK-UHFFFAOYSA-N
XLogP3.85
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 58197497?
The IUPAC name of CID 58197497 (CID 58197497) is not available.
What is the SMILES notation for CID 58197497?
The canonical SMILES for CID 58197497 is CN1C(=O)C2(N=C1N)c1cc(-c3cccnc3)ccc1CC21CCc2ccccc2CC1.
What is the InChIKey of CID 58197497?
The InChIKey is JLOMMZLKXNYVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O/c1-31-24(32)27(30-25(31)28)23-15-20(22-7-4-14-29-17-22)8-9-21(23)16-26(27)12-10-18-5-2-3-6-19(18)11-13-26/h2-9,14-15,17H,10-13,16H2,1H3,(H2,28,30).
What are the key properties of CID 58197497?
CID 58197497 has a molecular weight of 422.53 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197497 is sourced from PubChem (CID 58197497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).