(4-chloro-1H-indol-2-yl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone

C19H25ClN4O — CID 56740995

IUPAC(4-chloro-1H-indol-2-yl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone
SMILESCN1CCN(C)C2(CCN(C(=O)c3cc4c(Cl)cccc4[nH]3)CC2)C1
InChIInChI=1S/C19H25ClN4O/c1-22-10-11-23(2)19(13-22)6-8-24(9-7-19)18(25)17-12-14-15(20)4-3-5-16(14)21-17/h3-5,12,21H,6-11,13H2,1-2H3
InChIKeyJGUIGJQMXWFPLK-UHFFFAOYSA-N
MW360.89 g/mol
LogP2.67
Rot. Bonds1

About (4-chloro-1H-indol-2-yl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone

(4-chloro-1H-indol-2-yl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone (PubChem CID 56740995) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is (4-chloro-1H-indol-2-yl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1H-indol-2-yl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone
PubChem CID56740995
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name(4-chloro-1H-indol-2-yl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone
SMILESCN1CCN(C)C2(CCN(C(=O)c3cc4c(Cl)cccc4[nH]3)CC2)C1
InChIInChI=1S/C19H25ClN4O/c1-22-10-11-23(2)19(13-22)6-8-24(9-7-19)18(25)17-12-14-15(20)4-3-5-16(14)21-17/h3-5,12,21H,6-11,13H2,1-2H3
InChIKeyJGUIGJQMXWFPLK-UHFFFAOYSA-N
XLogP2.67
TPSA42.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 66572106
azetidin-1-yl-(4-chloro-1H-indol-2-yl)methanone
CID 167907926
(5-chloro-2-hydroxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone
CID 56740177
(5-chloro-2-methoxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone
CID 56751265
N-[5-(4-chloro-1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-methylcyclopropane-1-carboxamide
CID 142576556
(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 50968436
(3R)-1-(4-chloro-1H-indole-2-carbonyl)-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide
CID 124948732
5-(4-chloro-1H-indole-2-carbonyl)-N-[1-(hydroxymethyl)cyclopropyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 156773149
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
2-(piperidine-1-carbonyl)-1H-quinolin-4-one
CID 47120448
1-(4-chloro-1H-indole-2-carbonyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
CID 162628262
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-indol-2-yl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of (4-chloro-1H-indol-2-yl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone (CID 56740995) is (4-chloro-1H-indol-2-yl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for (4-chloro-1H-indol-2-yl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for (4-chloro-1H-indol-2-yl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone is CN1CCN(C)C2(CCN(C(=O)c3cc4c(Cl)cccc4[nH]3)CC2)C1.
What is the InChIKey of (4-chloro-1H-indol-2-yl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is JGUIGJQMXWFPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/c1-22-10-11-23(2)19(13-22)6-8-24(9-7-19)18(25)17-12-14-15(20)4-3-5-16(14)21-17/h3-5,12,21H,6-11,13H2,1-2H3.
What are the key properties of (4-chloro-1H-indol-2-yl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone?
(4-chloro-1H-indol-2-yl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 360.89 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-indol-2-yl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 56740995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).