(5-chloro-1H-indol-2-yl)-[7-[[4-(trifluoromethoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone

C24H23ClF3N3O2 — CID 138403807

IUPAC(5-chloro-1H-indol-2-yl)-[7-[[4-(trifluoromethoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone
SMILESO=C(c1cc2cc(Cl)ccc2[nH]1)N1CC2(CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)C1
InChIInChI=1S/C24H23ClF3N3O2/c25-18-3-6-20-17(11-18)12-21(29-20)22(32)31-14-23(15-31)7-9-30(10-8-23)13-16-1-4-19(5-2-16)33-24(26,27)28/h1-6,11-12,29H,7-10,13-15H2
InChIKeyLIHGBXNBPNKUKY-UHFFFAOYSA-N
MW477.91 g/mol
LogP5.46
Rot. Bonds4

About (5-chloro-1H-indol-2-yl)-[7-[[4-(trifluoromethoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone

(5-chloro-1H-indol-2-yl)-[7-[[4-(trifluoromethoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone (PubChem CID 138403807) has the molecular formula C24H23ClF3N3O2 and a molecular weight of 477.91 g/mol. Its IUPAC name is (5-chloro-1H-indol-2-yl)-[7-[[4-(trifluoromethoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

Compound Name(5-chloro-1H-indol-2-yl)-[7-[[4-(trifluoromethoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone
PubChem CID138403807
Molecular FormulaC24H23ClF3N3O2
Molecular Weight477.91 g/mol
Exact Mass477.14
IUPAC Name(5-chloro-1H-indol-2-yl)-[7-[[4-(trifluoromethoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone
SMILESO=C(c1cc2cc(Cl)ccc2[nH]1)N1CC2(CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)C1
InChIInChI=1S/C24H23ClF3N3O2/c25-18-3-6-20-17(11-18)12-21(29-20)22(32)31-14-23(15-31)7-9-30(10-8-23)13-16-1-4-19(5-2-16)33-24(26,27)28/h1-6,11-12,29H,7-10,13-15H2
InChIKeyLIHGBXNBPNKUKY-UHFFFAOYSA-N
XLogP5.46
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.91
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 3661150
(5-chloro-1H-indol-2-yl)-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
CID 122421163
1H-indol-2-yl-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 141331067
3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 107320803
N-[3-[[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]phenyl]-N-(4-fluorophenyl)formamide
CID 122421179
(5-chloro-1H-indol-2-yl)-[4-[(2-fluoro-4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 122434958
[3-(5-chloro-1H-indole-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]-[4-(1,1-difluoroethyl)-3-fluorophenyl]methanone
CID 121422395
(5-methyl-1H-indol-2-yl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 122434949
(5-chloro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134034136
1H-indol-2-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 42572629
3-fluoro-1-[6-(trifluoromethoxy)-1H-indole-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 119258701
2-(4-chlorophenyl)-1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
CID 97408658

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indol-2-yl)-[7-[[4-(trifluoromethoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone?
The IUPAC name of (5-chloro-1H-indol-2-yl)-[7-[[4-(trifluoromethoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone (CID 138403807) is (5-chloro-1H-indol-2-yl)-[7-[[4-(trifluoromethoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone.
What is the SMILES notation for (5-chloro-1H-indol-2-yl)-[7-[[4-(trifluoromethoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone?
The canonical SMILES for (5-chloro-1H-indol-2-yl)-[7-[[4-(trifluoromethoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone is O=C(c1cc2cc(Cl)ccc2[nH]1)N1CC2(CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)C1.
What is the InChIKey of (5-chloro-1H-indol-2-yl)-[7-[[4-(trifluoromethoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone?
The InChIKey is LIHGBXNBPNKUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClF3N3O2/c25-18-3-6-20-17(11-18)12-21(29-20)22(32)31-14-23(15-31)7-9-30(10-8-23)13-16-1-4-19(5-2-16)33-24(26,27)28/h1-6,11-12,29H,7-10,13-15H2.
What are the key properties of (5-chloro-1H-indol-2-yl)-[7-[[4-(trifluoromethoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone?
(5-chloro-1H-indol-2-yl)-[7-[[4-(trifluoromethoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 477.91 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indol-2-yl)-[7-[[4-(trifluoromethoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 138403807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).