(7-chloro-1H-indol-2-yl)-[7,7-di(propan-2-yl)-6-azaspiro[3.4]octan-6-yl]methanone

C22H29ClN2O — CID 162478720

IUPAC(7-chloro-1H-indol-2-yl)-[7,7-di(propan-2-yl)-6-azaspiro[3.4]octan-6-yl]methanone
SMILESCC(C)C1(C(C)C)CC2(CCC2)CN1C(=O)c1cc2cccc(Cl)c2[nH]1
InChIInChI=1S/C22H29ClN2O/c1-14(2)22(15(3)4)12-21(9-6-10-21)13-25(22)20(26)18-11-16-7-5-8-17(23)19(16)24-18/h5,7-8,11,14-15,24H,6,9-10,12-13H2,1-4H3
InChIKeyKKCSFFFWCMJYPH-UHFFFAOYSA-N
MW372.94 g/mol
LogP5.89
Rot. Bonds3

About (7-chloro-1H-indol-2-yl)-[7,7-di(propan-2-yl)-6-azaspiro[3.4]octan-6-yl]methanone

(7-chloro-1H-indol-2-yl)-[7,7-di(propan-2-yl)-6-azaspiro[3.4]octan-6-yl]methanone (PubChem CID 162478720) has the molecular formula C22H29ClN2O and a molecular weight of 372.94 g/mol. Its IUPAC name is (7-chloro-1H-indol-2-yl)-[7,7-di(propan-2-yl)-6-azaspiro[3.4]octan-6-yl]methanone.

Molecular Properties

Compound Name(7-chloro-1H-indol-2-yl)-[7,7-di(propan-2-yl)-6-azaspiro[3.4]octan-6-yl]methanone
PubChem CID162478720
Molecular FormulaC22H29ClN2O
Molecular Weight372.94 g/mol
Exact Mass372.20
IUPAC Name(7-chloro-1H-indol-2-yl)-[7,7-di(propan-2-yl)-6-azaspiro[3.4]octan-6-yl]methanone
SMILESCC(C)C1(C(C)C)CC2(CCC2)CN1C(=O)c1cc2cccc(Cl)c2[nH]1
InChIInChI=1S/C22H29ClN2O/c1-14(2)22(15(3)4)12-21(9-6-10-21)13-25(22)20(26)18-11-16-7-5-8-17(23)19(16)24-18/h5,7-8,11,14-15,24H,6,9-10,12-13H2,1-4H3
InChIKeyKKCSFFFWCMJYPH-UHFFFAOYSA-N
XLogP5.89
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.94
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(7-chloro-1H-indol-2-yl)-(2-thia-3-azaspiro[4.5]decan-3-yl)methanone
CID 170015234
(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
(7-amino-1H-indol-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 107210797
[3,3-di(propan-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone
CID 158732514
7-chloro-N-(2-methylpropyl)-1H-indole-2-carboxamide
CID 110848308
7-chloro-N-(3-methylbutyl)-1H-indole-2-carboxamide
CID 108804029
7-chloro-1H-indole-2-carbohydrazide
CID 13466352
7-chloro-N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-indole-2-carboxamide
CID 166475980
7-chloro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1H-indole-2-carboxamide
CID 108791657
(3S)-2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]ethyl]-2-azaspiro[4.5]decane-3-carboxamide
CID 166611612
7-chloro-N-cyclohexyl-1H-indole-2-carboxamide
CID 108791623
2-azaspiro[3.4]octan-2-yl-(5-chloro-6,7-difluoro-1H-indol-2-yl)methanone
CID 157202078

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1H-indol-2-yl)-[7,7-di(propan-2-yl)-6-azaspiro[3.4]octan-6-yl]methanone?
The IUPAC name of (7-chloro-1H-indol-2-yl)-[7,7-di(propan-2-yl)-6-azaspiro[3.4]octan-6-yl]methanone (CID 162478720) is (7-chloro-1H-indol-2-yl)-[7,7-di(propan-2-yl)-6-azaspiro[3.4]octan-6-yl]methanone.
What is the SMILES notation for (7-chloro-1H-indol-2-yl)-[7,7-di(propan-2-yl)-6-azaspiro[3.4]octan-6-yl]methanone?
The canonical SMILES for (7-chloro-1H-indol-2-yl)-[7,7-di(propan-2-yl)-6-azaspiro[3.4]octan-6-yl]methanone is CC(C)C1(C(C)C)CC2(CCC2)CN1C(=O)c1cc2cccc(Cl)c2[nH]1.
What is the InChIKey of (7-chloro-1H-indol-2-yl)-[7,7-di(propan-2-yl)-6-azaspiro[3.4]octan-6-yl]methanone?
The InChIKey is KKCSFFFWCMJYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O/c1-14(2)22(15(3)4)12-21(9-6-10-21)13-25(22)20(26)18-11-16-7-5-8-17(23)19(16)24-18/h5,7-8,11,14-15,24H,6,9-10,12-13H2,1-4H3.
What are the key properties of (7-chloro-1H-indol-2-yl)-[7,7-di(propan-2-yl)-6-azaspiro[3.4]octan-6-yl]methanone?
(7-chloro-1H-indol-2-yl)-[7,7-di(propan-2-yl)-6-azaspiro[3.4]octan-6-yl]methanone has a molecular weight of 372.94 g/mol, XLogP of 5.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1H-indol-2-yl)-[7,7-di(propan-2-yl)-6-azaspiro[3.4]octan-6-yl]methanone is sourced from PubChem (CID 162478720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).