CID 89365717

C25H25BN6O — CID 89365717

IUPAC—
SMILES[B]c1cnn2c(NCc3cccc(NC(=O)C4CCCC4)c3)cc(-c3ccccc3N)nc12
InChIInChI=1S/C25H25BN6O/c26-20-15-29-32-23(13-22(31-24(20)32)19-10-3-4-11-21(19)27)28-14-16-6-5-9-18(12-16)30-25(33)17-7-1-2-8-17/h3-6,9-13,15,17,28H,1-2,7-8,14,27H2,(H,30,33)
InChIKeyGFWKWWBGIBKYMG-UHFFFAOYSA-N
MW436.33 g/mol
LogP3.51
Rot. Bonds6

About CID 89365717

CID 89365717 (PubChem CID 89365717) has the molecular formula C25H25BN6O and a molecular weight of 436.33 g/mol.

Molecular Properties

Compound NameCID 89365717
PubChem CID89365717
Molecular FormulaC25H25BN6O
Molecular Weight436.33 g/mol
Exact Mass436.22
IUPAC Name—
SMILES[B]c1cnn2c(NCc3cccc(NC(=O)C4CCCC4)c3)cc(-c3ccccc3N)nc12
InChIInChI=1S/C25H25BN6O/c26-20-15-29-32-23(13-22(31-24(20)32)19-10-3-4-11-21(19)27)28-14-16-6-5-9-18(12-16)30-25(33)17-7-1-2-8-17/h3-6,9-13,15,17,28H,1-2,7-8,14,27H2,(H,30,33)
InChIKeyGFWKWWBGIBKYMG-UHFFFAOYSA-N
XLogP3.51
TPSA97.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.33
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]cycloheptanecarboxamide
CID 21067621
N-[3-[[[5-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 71213586
CID 89055981
CID 89055981
CID 89055741
CID 89055741
CID 136620094
CID 136620094
CID 136607130
CID 136607130
CID 136607112
CID 136607112
N-[[4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methyl]cycloheptanecarboxamide
CID 21068337
(2R)-N-[3-[[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]-2-phenylcyclopropane-1-carboxamide
CID 143090397
2-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide
CID 119944325
CID 89365510
CID 89365510
CID 89298178
CID 89298178

Frequently Asked Questions

What is the IUPAC name of CID 89365717?
The IUPAC name of CID 89365717 (CID 89365717) is not available.
What is the SMILES notation for CID 89365717?
The canonical SMILES for CID 89365717 is [B]c1cnn2c(NCc3cccc(NC(=O)C4CCCC4)c3)cc(-c3ccccc3N)nc12.
What is the InChIKey of CID 89365717?
The InChIKey is GFWKWWBGIBKYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BN6O/c26-20-15-29-32-23(13-22(31-24(20)32)19-10-3-4-11-21(19)27)28-14-16-6-5-9-18(12-16)30-25(33)17-7-1-2-8-17/h3-6,9-13,15,17,28H,1-2,7-8,14,27H2,(H,30,33).
What are the key properties of CID 89365717?
CID 89365717 has a molecular weight of 436.33 g/mol, XLogP of 3.51, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89365717 is sourced from PubChem (CID 89365717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).