CID 58197753

C26H26N4O — CID 58197753

IUPAC—
SMILESCN1OC2(N=C1N)c1cc(-c3cccnc3)ccc1CC21CCc2ccccc2CC1
InChIInChI=1S/C26H26N4O/c1-30-24(27)29-26(31-30)23-15-20(22-7-4-14-28-17-22)8-9-21(23)16-25(26)12-10-18-5-2-3-6-19(18)11-13-25/h2-9,14-15,17H,10-13,16H2,1H3,(H2,27,29)
InChIKeyKZZBUPSCDNYBQX-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.21
Rot. Bonds1

About CID 58197753

CID 58197753 (PubChem CID 58197753) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol.

Molecular Properties

Compound NameCID 58197753
PubChem CID58197753
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC Name—
SMILESCN1OC2(N=C1N)c1cc(-c3cccnc3)ccc1CC21CCc2ccccc2CC1
InChIInChI=1S/C26H26N4O/c1-30-24(27)29-26(31-30)23-15-20(22-7-4-14-28-17-22)8-9-21(23)16-25(26)12-10-18-5-2-3-6-19(18)11-13-25/h2-9,14-15,17H,10-13,16H2,1H3,(H2,27,29)
InChIKeyKZZBUPSCDNYBQX-UHFFFAOYSA-N
XLogP4.21
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 118592440
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CID 172940900
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CID 58197612
CID 58197612
CID 157144485
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CID 143944618
5-pyridin-3-ylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
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Frequently Asked Questions

What is the IUPAC name of CID 58197753?
The IUPAC name of CID 58197753 (CID 58197753) is not available.
What is the SMILES notation for CID 58197753?
The canonical SMILES for CID 58197753 is CN1OC2(N=C1N)c1cc(-c3cccnc3)ccc1CC21CCc2ccccc2CC1.
What is the InChIKey of CID 58197753?
The InChIKey is KZZBUPSCDNYBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c1-30-24(27)29-26(31-30)23-15-20(22-7-4-14-28-17-22)8-9-21(23)16-25(26)12-10-18-5-2-3-6-19(18)11-13-25/h2-9,14-15,17H,10-13,16H2,1H3,(H2,27,29).
What are the key properties of CID 58197753?
CID 58197753 has a molecular weight of 410.52 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197753 is sourced from PubChem (CID 58197753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).