CID 110212532

C25H28N4O2 — CID 110212532

IUPAC—
SMILESCOc1ccc2c(c1)NC1(COC3(CCN(Cc4cccnc4)CC3)C1)c1cccn1-2
InChIInChI=1S/C25H28N4O2/c1-30-20-6-7-22-21(14-20)27-25(23-5-3-11-29(22)23)17-24(31-18-25)8-12-28(13-9-24)16-19-4-2-10-26-15-19/h2-7,10-11,14-15,27H,8-9,12-13,16-18H2,1H3
InChIKeyNEICZSMYELBTSD-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.96
Rot. Bonds3

About CID 110212532

CID 110212532 (PubChem CID 110212532) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol.

Molecular Properties

Compound NameCID 110212532
PubChem CID110212532
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name—
SMILESCOc1ccc2c(c1)NC1(COC3(CCN(Cc4cccnc4)CC3)C1)c1cccn1-2
InChIInChI=1S/C25H28N4O2/c1-30-20-6-7-22-21(14-20)27-25(23-5-3-11-29(22)23)17-24(31-18-25)8-12-28(13-9-24)16-19-4-2-10-26-15-19/h2-7,10-11,14-15,27H,8-9,12-13,16-18H2,1H3
InChIKeyNEICZSMYELBTSD-UHFFFAOYSA-N
XLogP3.96
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze CID 110212532 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 110212525
CID 110212525
CID 110212523
CID 110212523
CID 95794118
CID 95794118
CID 95794123
CID 95794123
CID 95794206
CID 95794206
CID 110212622
CID 110212622
CID 110212554
CID 110212554
1'-benzylsulfonyl-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025766
9-[(4-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;tris(2,2,2-trifluoroacetic acid)
CID 155849939
7-methoxy-N-(3-methoxyphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53008766
7-methoxy-1'-(2,4,6-trimethylphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025757
8-[(4-methoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 97372599

Frequently Asked Questions

What is the IUPAC name of CID 110212532?
The IUPAC name of CID 110212532 (CID 110212532) is not available.
What is the SMILES notation for CID 110212532?
The canonical SMILES for CID 110212532 is COc1ccc2c(c1)NC1(COC3(CCN(Cc4cccnc4)CC3)C1)c1cccn1-2.
What is the InChIKey of CID 110212532?
The InChIKey is NEICZSMYELBTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-30-20-6-7-22-21(14-20)27-25(23-5-3-11-29(22)23)17-24(31-18-25)8-12-28(13-9-24)16-19-4-2-10-26-15-19/h2-7,10-11,14-15,27H,8-9,12-13,16-18H2,1H3.
What are the key properties of CID 110212532?
CID 110212532 has a molecular weight of 416.53 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 110212532 is sourced from PubChem (CID 110212532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).