CID 123140210

C26H29N5O — CID 123140210

IUPAC—
SMILESCC1CC(C)CC2(Cc3ccc(C#N)cc3C23N=C(N)N(CCc2ccncc2)C3=O)C1
InChIInChI=1S/C26H29N5O/c1-17-11-18(2)14-25(13-17)15-21-4-3-20(16-27)12-22(21)26(25)23(32)31(24(28)30-26)10-7-19-5-8-29-9-6-19/h3-6,8-9,12,17-18H,7,10-11,13-15H2,1-2H3,(H2,28,30)
InChIKeyJVLPZLXTYNNKBA-UHFFFAOYSA-N
MW427.55 g/mol
LogP3.55
Rot. Bonds3

About CID 123140210

CID 123140210 (PubChem CID 123140210) has the molecular formula C26H29N5O and a molecular weight of 427.55 g/mol.

Molecular Properties

Compound NameCID 123140210
PubChem CID123140210
Molecular FormulaC26H29N5O
Molecular Weight427.55 g/mol
Exact Mass427.24
IUPAC Name—
SMILESCC1CC(C)CC2(Cc3ccc(C#N)cc3C23N=C(N)N(CCc2ccncc2)C3=O)C1
InChIInChI=1S/C26H29N5O/c1-17-11-18(2)14-25(13-17)15-21-4-3-20(16-27)12-22(21)26(25)23(32)31(24(28)30-26)10-7-19-5-8-29-9-6-19/h3-6,8-9,12,17-18H,7,10-11,13-15H2,1-2H3,(H2,28,30)
InChIKeyJVLPZLXTYNNKBA-UHFFFAOYSA-N
XLogP3.55
TPSA95.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 123140210?
The IUPAC name of CID 123140210 (CID 123140210) is not available.
What is the SMILES notation for CID 123140210?
The canonical SMILES for CID 123140210 is CC1CC(C)CC2(Cc3ccc(C#N)cc3C23N=C(N)N(CCc2ccncc2)C3=O)C1.
What is the InChIKey of CID 123140210?
The InChIKey is JVLPZLXTYNNKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O/c1-17-11-18(2)14-25(13-17)15-21-4-3-20(16-27)12-22(21)26(25)23(32)31(24(28)30-26)10-7-19-5-8-29-9-6-19/h3-6,8-9,12,17-18H,7,10-11,13-15H2,1-2H3,(H2,28,30).
What are the key properties of CID 123140210?
CID 123140210 has a molecular weight of 427.55 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123140210 is sourced from PubChem (CID 123140210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).