CID 53374952

C25H29N5O — CID 53374952

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(-c3cccnc3)cc1C21N=C(N)N2CCCN=C21
InChIInChI=1S/C25H29N5O/c1-31-20-7-9-24(10-8-20)15-18-6-5-17(19-4-2-11-27-16-19)14-21(18)25(24)22-28-12-3-13-30(22)23(26)29-25/h2,4-6,11,14,16,20H,3,7-10,12-13,15H2,1H3,(H2,26,29)
InChIKeyJNQFSJMQTKFBBJ-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.51
Rot. Bonds2

About CID 53374952

CID 53374952 (PubChem CID 53374952) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol.

Molecular Properties

Compound NameCID 53374952
PubChem CID53374952
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(-c3cccnc3)cc1C21N=C(N)N2CCCN=C21
InChIInChI=1S/C25H29N5O/c1-31-20-7-9-24(10-8-20)15-18-6-5-17(19-4-2-11-27-16-19)14-21(18)25(24)22-28-12-3-13-30(22)23(26)29-25/h2,4-6,11,14,16,20H,3,7-10,12-13,15H2,1H3,(H2,26,29)
InChIKeyJNQFSJMQTKFBBJ-UHFFFAOYSA-N
XLogP3.51
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 53374952?
The IUPAC name of CID 53374952 (CID 53374952) is not available.
What is the SMILES notation for CID 53374952?
The canonical SMILES for CID 53374952 is COC1CCC2(CC1)Cc1ccc(-c3cccnc3)cc1C21N=C(N)N2CCCN=C21.
What is the InChIKey of CID 53374952?
The InChIKey is JNQFSJMQTKFBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-31-20-7-9-24(10-8-20)15-18-6-5-17(19-4-2-11-27-16-19)14-21(18)25(24)22-28-12-3-13-30(22)23(26)29-25/h2,4-6,11,14,16,20H,3,7-10,12-13,15H2,1H3,(H2,26,29).
What are the key properties of CID 53374952?
CID 53374952 has a molecular weight of 415.54 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 53374952 is sourced from PubChem (CID 53374952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).