CID 142475529

C32H39FN4O2 — CID 142475529

IUPAC—
SMILESCOc1ccc2c3c([nH]c2c1)C1(CCNCC1)N(Cc1ccccc1F)CC31CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C32H39FN4O2/c1-39-24-9-10-25-27(19-24)35-29-28(25)31(13-17-36(18-14-31)30(38)22-6-4-7-22)21-37(32(29)11-15-34-16-12-32)20-23-5-2-3-8-26(23)33/h2-3,5,8-10,19,22,34-35H,4,6-7,11-18,20-21H2,1H3
InChIKeyCSECHSSERIHRIW-UHFFFAOYSA-N
MW530.69 g/mol
LogP5.07
Rot. Bonds4

About CID 142475529

CID 142475529 (PubChem CID 142475529) has the molecular formula C32H39FN4O2 and a molecular weight of 530.69 g/mol.

Molecular Properties

Compound NameCID 142475529
PubChem CID142475529
Molecular FormulaC32H39FN4O2
Molecular Weight530.69 g/mol
Exact Mass530.31
IUPAC Name—
SMILESCOc1ccc2c3c([nH]c2c1)C1(CCNCC1)N(Cc1ccccc1F)CC31CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C32H39FN4O2/c1-39-24-9-10-25-27(19-24)35-29-28(25)31(13-17-36(18-14-31)30(38)22-6-4-7-22)21-37(32(29)11-15-34-16-12-32)20-23-5-2-3-8-26(23)33/h2-3,5,8-10,19,22,34-35H,4,6-7,11-18,20-21H2,1H3
InChIKeyCSECHSSERIHRIW-UHFFFAOYSA-N
XLogP5.07
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.69
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze CID 142475529 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

2-[(2-fluorophenyl)methyl]-7-methoxy-1-methyl-1-pyridin-2-ylspiro[3,9-dihydropyrido[3,4-b]indole-4,4'-piperidine]
CID 135353441
cyclobutyl-[2-[1-(2-fluorophenyl)ethyl]-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-yl]methanone;methanol
CID 142450401
[2-[(2-bromophenyl)methyl]-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-yl]-cyclobutylmethanone
CID 142450359
1'-(cyclobutanecarbonyl)-2-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-N,N-dimethylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-7-carboxamide
CID 142475575
cyclobutyl-[2-[(2-fluorophenyl)methyl]-7-methoxy-9-(2-methoxyethyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1'-yl]methanone
CID 135382468
[(1R)-2-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-yl]-cyclopropylmethanone
CID 134829568
cyclobutyl-(7-methoxyspiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4'-piperidine]-1'-yl)methanone
CID 135382465
cyclobutyl-[(1Z)-2-[(4-fluorophenyl)methyl]-1-(hydroxymethylidene)-7-methoxyspiro[3,9-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1'-yl]methanone
CID 145314876
cyclobutyl-[2-[(2-fluorophenyl)methyl]-9-[2-(2-hydroxyethoxy)ethyl]-7-methoxyspiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1'-yl]methanone
CID 142475533
N-[[1'-(cyclobutanecarbonyl)-2-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-7-yl]methyl]-N-methylacetamide
CID 142475596
[2-(benzenesulfonyl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-yl]-cyclobutylmethanone
CID 142475653
1-[4-[[2-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-yl]methyl]piperidin-1-yl]ethanone
CID 142475511

Frequently Asked Questions

What is the IUPAC name of CID 142475529?
The IUPAC name of CID 142475529 (CID 142475529) is not available.
What is the SMILES notation for CID 142475529?
The canonical SMILES for CID 142475529 is COc1ccc2c3c([nH]c2c1)C1(CCNCC1)N(Cc1ccccc1F)CC31CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of CID 142475529?
The InChIKey is CSECHSSERIHRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39FN4O2/c1-39-24-9-10-25-27(19-24)35-29-28(25)31(13-17-36(18-14-31)30(38)22-6-4-7-22)21-37(32(29)11-15-34-16-12-32)20-23-5-2-3-8-26(23)33/h2-3,5,8-10,19,22,34-35H,4,6-7,11-18,20-21H2,1H3.
What are the key properties of CID 142475529?
CID 142475529 has a molecular weight of 530.69 g/mol, XLogP of 5.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142475529 is sourced from PubChem (CID 142475529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).