(1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-carboxamide

C25H29FN4O5S — CID 86764767

IUPAC(1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-carboxamide
SMILESCOc1ccc2c3c([nH]c2c1)[C@H](CO)N(S(C)(=O)=O)CC31CCN(C(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C25H29FN4O5S/c1-35-16-7-8-17-20(13-16)27-23-21(14-31)30(36(2,33)34)15-25(22(17)23)9-11-29(12-10-25)24(32)28-19-6-4-3-5-18(19)26/h3-8,13,21,27,31H,9-12,14-15H2,1-2H3,(H,28,32)/t21-/m0/s1
InChIKeyHDHQWNAIHSODHP-NRFANRHFSA-N
MW516.60 g/mol
LogP3.19
Rot. Bonds4

About (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-carboxamide

(1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-carboxamide (PubChem CID 86764767) has the molecular formula C25H29FN4O5S and a molecular weight of 516.60 g/mol. Its IUPAC name is (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name(1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-carboxamide
PubChem CID86764767
Molecular FormulaC25H29FN4O5S
Molecular Weight516.60 g/mol
Exact Mass516.18
IUPAC Name(1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-carboxamide
SMILESCOc1ccc2c3c([nH]c2c1)[C@H](CO)N(S(C)(=O)=O)CC31CCN(C(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C25H29FN4O5S/c1-35-16-7-8-17-20(13-16)27-23-21(14-31)30(36(2,33)34)15-25(22(17)23)9-11-29(12-10-25)24(32)28-19-6-4-3-5-18(19)26/h3-8,13,21,27,31H,9-12,14-15H2,1-2H3,(H,28,32)/t21-/m0/s1
InChIKeyHDHQWNAIHSODHP-NRFANRHFSA-N
XLogP3.19
TPSA114.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.60
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-carboxamide 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

N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(trifluoromethylsulfonyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-carboxamide
CID 123983407
(1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(2-phenylethyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-carboxamide
CID 86764878
(1S)-2-acetyl-N-(2-fluorophenyl)-7-methoxy-1-(morpholin-4-ylmethyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-carboxamide
CID 86763565
[2-(benzenesulfonyl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-yl]-cyclobutylmethanone
CID 142475653
4-cyclopropylsulfonyl-N-(2-fluorophenyl)-2-(hydroxymethyl)-15-methoxy-3-methyl-4,8,18-triazatricyclo[9.7.0.012,17]octadeca-1(11),12(17),13,15-tetraene-8-carboxamide
CID 123721845
4-(benzenesulfonyl)-N-(2-fluorophenyl)-2-(hydroxymethyl)-15-methoxy-3-methyl-4,8,18-triazatricyclo[9.7.0.012,17]octadeca-1(11),12(17),13,15-tetraene-8-carboxamide
CID 123709682
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
2-[4-[2-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-carbonyl]phenoxy]acetic acid
CID 142475560
cyclobutyl-[2-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]sulfonyl-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-yl]methanone;methane
CID 142475622
[(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
[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
[(1S)-7-methoxy-2-[(2-methoxyphenyl)methyl]-1'-methylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1-yl]methanol
CID 71759954

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-carboxamide?
The IUPAC name of (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-carboxamide (CID 86764767) is (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-carboxamide?
The canonical SMILES for (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-carboxamide is COc1ccc2c3c([nH]c2c1)[C@H](CO)N(S(C)(=O)=O)CC31CCN(C(=O)Nc2ccccc2F)CC1.
What is the InChIKey of (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-carboxamide?
The InChIKey is HDHQWNAIHSODHP-NRFANRHFSA-N. The full InChI is InChI=1S/C25H29FN4O5S/c1-35-16-7-8-17-20(13-16)27-23-21(14-31)30(36(2,33)34)15-25(22(17)23)9-11-29(12-10-25)24(32)28-19-6-4-3-5-18(19)26/h3-8,13,21,27,31H,9-12,14-15H2,1-2H3,(H,28,32)/t21-/m0/s1.
What are the key properties of (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-carboxamide?
(1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-carboxamide has a molecular weight of 516.60 g/mol, XLogP of 3.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 86764767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).