CID 89365510

C26H25BClN7O2 — CID 89365510

IUPAC—
SMILES[B]c1cnn2c(NCC3CCCN(C(=O)c4cccc(NC(N)=O)c4)C3)cc(-c3ccccc3Cl)nc12
InChIInChI=1S/C26H25BClN7O2/c27-20-14-31-35-23(12-22(33-24(20)35)19-8-1-2-9-21(19)28)30-13-16-5-4-10-34(15-16)25(36)17-6-3-7-18(11-17)32-26(29)37/h1-3,6-9,11-12,14,16,30H,4-5,10,13,15H2,(H3,29,32,37)
InChIKeyHIXRXNAIRLKKSU-UHFFFAOYSA-N
MW513.80 g/mol
LogP3.30
Rot. Bonds6

About CID 89365510

CID 89365510 (PubChem CID 89365510) has the molecular formula C26H25BClN7O2 and a molecular weight of 513.80 g/mol.

Molecular Properties

Compound NameCID 89365510
PubChem CID89365510
Molecular FormulaC26H25BClN7O2
Molecular Weight513.80 g/mol
Exact Mass513.19
IUPAC Name—
SMILES[B]c1cnn2c(NCC3CCCN(C(=O)c4cccc(NC(N)=O)c4)C3)cc(-c3ccccc3Cl)nc12
InChIInChI=1S/C26H25BClN7O2/c27-20-14-31-35-23(12-22(33-24(20)35)19-8-1-2-9-21(19)28)30-13-16-5-4-10-34(15-16)25(36)17-6-3-7-18(11-17)32-26(29)37/h1-3,6-9,11-12,14,16,30H,4-5,10,13,15H2,(H3,29,32,37)
InChIKeyHIXRXNAIRLKKSU-UHFFFAOYSA-N
XLogP3.30
TPSA117.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.80
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze CID 89365510 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 136594029
CID 136594029
CID 89055129
CID 89055129
CID 89055606
CID 89055606
CID 89055607
CID 89055607
CID 89056111
CID 89056111
[3-[[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 143442073
3-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-[(2-chlorophenyl)methyl]piperidine-1-carboxamide
CID 21065996
[3-[[[5-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]-(2-phenoxyphenyl)methanone
CID 163938963
3-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide
CID 21065999
CID 89376777
CID 89376777
CID 88986761
CID 88986761
3-[[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-[(2-chlorophenyl)methyl]piperidine-1-carboxamide
CID 143440863

Frequently Asked Questions

What is the IUPAC name of CID 89365510?
The IUPAC name of CID 89365510 (CID 89365510) is not available.
What is the SMILES notation for CID 89365510?
The canonical SMILES for CID 89365510 is [B]c1cnn2c(NCC3CCCN(C(=O)c4cccc(NC(N)=O)c4)C3)cc(-c3ccccc3Cl)nc12.
What is the InChIKey of CID 89365510?
The InChIKey is HIXRXNAIRLKKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25BClN7O2/c27-20-14-31-35-23(12-22(33-24(20)35)19-8-1-2-9-21(19)28)30-13-16-5-4-10-34(15-16)25(36)17-6-3-7-18(11-17)32-26(29)37/h1-3,6-9,11-12,14,16,30H,4-5,10,13,15H2,(H3,29,32,37).
What are the key properties of CID 89365510?
CID 89365510 has a molecular weight of 513.80 g/mol, XLogP of 3.30, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89365510 is sourced from PubChem (CID 89365510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).