(6-chloro-1H-indol-2-yl)-[8,8-difluoro-3,3-di(propan-2-yl)-2-azaspiro[4.5]decan-2-yl]methanone

C24H31ClF2N2O — CID 162479050

IUPAC(6-chloro-1H-indol-2-yl)-[8,8-difluoro-3,3-di(propan-2-yl)-2-azaspiro[4.5]decan-2-yl]methanone
SMILESCC(C)C1(C(C)C)CC2(CCC(F)(F)CC2)CN1C(=O)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C24H31ClF2N2O/c1-15(2)24(16(3)4)13-22(7-9-23(26,27)10-8-22)14-29(24)21(30)20-11-17-5-6-18(25)12-19(17)28-20/h5-6,11-12,15-16,28H,7-10,13-14H2,1-4H3
InChIKeySCNNLRNBEJCUEX-UHFFFAOYSA-N
MW436.97 g/mol
LogP6.91
Rot. Bonds3

About (6-chloro-1H-indol-2-yl)-[8,8-difluoro-3,3-di(propan-2-yl)-2-azaspiro[4.5]decan-2-yl]methanone

(6-chloro-1H-indol-2-yl)-[8,8-difluoro-3,3-di(propan-2-yl)-2-azaspiro[4.5]decan-2-yl]methanone (PubChem CID 162479050) has the molecular formula C24H31ClF2N2O and a molecular weight of 436.97 g/mol. Its IUPAC name is (6-chloro-1H-indol-2-yl)-[8,8-difluoro-3,3-di(propan-2-yl)-2-azaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name(6-chloro-1H-indol-2-yl)-[8,8-difluoro-3,3-di(propan-2-yl)-2-azaspiro[4.5]decan-2-yl]methanone
PubChem CID162479050
Molecular FormulaC24H31ClF2N2O
Molecular Weight436.97 g/mol
Exact Mass436.21
IUPAC Name(6-chloro-1H-indol-2-yl)-[8,8-difluoro-3,3-di(propan-2-yl)-2-azaspiro[4.5]decan-2-yl]methanone
SMILESCC(C)C1(C(C)C)CC2(CCC(F)(F)CC2)CN1C(=O)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C24H31ClF2N2O/c1-15(2)24(16(3)4)13-22(7-9-23(26,27)10-8-22)14-29(24)21(30)20-11-17-5-6-18(25)12-19(17)28-20/h5-6,11-12,15-16,28H,7-10,13-14H2,1-4H3
InChIKeySCNNLRNBEJCUEX-UHFFFAOYSA-N
XLogP6.91
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.97
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (6-chloro-1H-indol-2-yl)-[8,8-difluoro-3,3-di(propan-2-yl)-2-azaspiro[4.5]decan-2-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(7-chloro-1H-indol-2-yl)-[7,7-di(propan-2-yl)-6-azaspiro[3.4]octan-6-yl]methanone
CID 162478720
[3,3-di(propan-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone
CID 158732514
[4-(6-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38908871
(4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 68887703
(6-chloro-1H-indol-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 110888104
6-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide
CID 109388491
(3aS,7aS)-2-(6-chloro-1H-indole-2-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120626641
(5-chloro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134034136
6-chloro-N-ethyl-1H-indole-2-carboxamide
CID 47172452
6-chloro-N-[2-[(6-chloro-1H-indole-2-carbonyl)-methylamino]ethyl]-N-methyl-1H-indole-2-carboxamide
CID 112843310
(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 3661150
8-(6-chloro-1H-indole-2-carbonyl)-N-[1-(4-methylphenyl)ethyl]-8-azaspiro[4.5]decane-3-carboxamide
CID 171675378

Frequently Asked Questions

What is the IUPAC name of (6-chloro-1H-indol-2-yl)-[8,8-difluoro-3,3-di(propan-2-yl)-2-azaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of (6-chloro-1H-indol-2-yl)-[8,8-difluoro-3,3-di(propan-2-yl)-2-azaspiro[4.5]decan-2-yl]methanone (CID 162479050) is (6-chloro-1H-indol-2-yl)-[8,8-difluoro-3,3-di(propan-2-yl)-2-azaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for (6-chloro-1H-indol-2-yl)-[8,8-difluoro-3,3-di(propan-2-yl)-2-azaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for (6-chloro-1H-indol-2-yl)-[8,8-difluoro-3,3-di(propan-2-yl)-2-azaspiro[4.5]decan-2-yl]methanone is CC(C)C1(C(C)C)CC2(CCC(F)(F)CC2)CN1C(=O)c1cc2ccc(Cl)cc2[nH]1.
What is the InChIKey of (6-chloro-1H-indol-2-yl)-[8,8-difluoro-3,3-di(propan-2-yl)-2-azaspiro[4.5]decan-2-yl]methanone?
The InChIKey is SCNNLRNBEJCUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClF2N2O/c1-15(2)24(16(3)4)13-22(7-9-23(26,27)10-8-22)14-29(24)21(30)20-11-17-5-6-18(25)12-19(17)28-20/h5-6,11-12,15-16,28H,7-10,13-14H2,1-4H3.
What are the key properties of (6-chloro-1H-indol-2-yl)-[8,8-difluoro-3,3-di(propan-2-yl)-2-azaspiro[4.5]decan-2-yl]methanone?
(6-chloro-1H-indol-2-yl)-[8,8-difluoro-3,3-di(propan-2-yl)-2-azaspiro[4.5]decan-2-yl]methanone has a molecular weight of 436.97 g/mol, XLogP of 6.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1H-indol-2-yl)-[8,8-difluoro-3,3-di(propan-2-yl)-2-azaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 162479050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).