(2R,5R)-7-methyl-2-[4-(1-methylindol-4-yl)-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride

C22H25ClN4O — CID 71621212

IUPAC(2R,5R)-7-methyl-2-[4-(1-methylindol-4-yl)-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
SMILESCN1CC[C@]2(CC[C@H](c3cc(-c4cccc5c4ccn5C)ccn3)N2)C1=O.Cl
InChIInChI=1S/C22H24N4O.ClH/c1-25-12-8-17-16(4-3-5-20(17)25)15-7-11-23-19(14-15)18-6-9-22(24-18)10-13-26(2)21(22)27;/h3-5,7-8,11-12,14,18,24H,6,9-10,13H2,1-2H3;1H/t18-,22-;/m1./s1
InChIKeyHSVIVYUGTIADRK-TVNLMDKXSA-N
MW396.92 g/mol
LogP3.69
Rot. Bonds2

About (2R,5R)-7-methyl-2-[4-(1-methylindol-4-yl)-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride

(2R,5R)-7-methyl-2-[4-(1-methylindol-4-yl)-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride (PubChem CID 71621212) has the molecular formula C22H25ClN4O and a molecular weight of 396.92 g/mol. Its IUPAC name is (2R,5R)-7-methyl-2-[4-(1-methylindol-4-yl)-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride.

Molecular Properties

Compound Name(2R,5R)-7-methyl-2-[4-(1-methylindol-4-yl)-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
PubChem CID71621212
Molecular FormulaC22H25ClN4O
Molecular Weight396.92 g/mol
Exact Mass396.17
IUPAC Name(2R,5R)-7-methyl-2-[4-(1-methylindol-4-yl)-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
SMILESCN1CC[C@]2(CC[C@H](c3cc(-c4cccc5c4ccn5C)ccn3)N2)C1=O.Cl
InChIInChI=1S/C22H24N4O.ClH/c1-25-12-8-17-16(4-3-5-20(17)25)15-7-11-23-19(14-15)18-6-9-22(24-18)10-13-26(2)21(22)27;/h3-5,7-8,11-12,14,18,24H,6,9-10,13H2,1-2H3;1H/t18-,22-;/m1./s1
InChIKeyHSVIVYUGTIADRK-TVNLMDKXSA-N
XLogP3.69
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-2-[4-(4-methylthiophen-3-yl)-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one
CID 78137015
(2R,5S)-2-[4-(3-ethoxyphenyl)-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
CID 118293879
(2R,5S)-2-[4-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
CID 118293827
(2R,5S)-2-[4-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
CID 118293741
7-methyl-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one
CID 123435041
(2R,5S)-2-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
CID 118294024
(2R,5S)-9-methyl-2-[4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-1,9-diazaspiro[4.5]decan-10-one;hydrochloride
CID 71621060
(2R,5S)-2-[4-[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
CID 118293886
(2R,5S)-2-[4-(5-cyclopropyloxy-2-fluorophenyl)-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one
CID 118293899
(2R,5S)-2-[4-[2-fluoro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one
CID 71586633
(2S,5S)-7-methyl-2-[3-(4-methylthiophen-3-yl)phenyl]-1,7-diazaspiro[4.4]nonan-6-one
CID 90016770
(2R,5S)-2-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
CID 118293817

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-7-methyl-2-[4-(1-methylindol-4-yl)-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride?
The IUPAC name of (2R,5R)-7-methyl-2-[4-(1-methylindol-4-yl)-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride (CID 71621212) is (2R,5R)-7-methyl-2-[4-(1-methylindol-4-yl)-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride.
What is the SMILES notation for (2R,5R)-7-methyl-2-[4-(1-methylindol-4-yl)-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride?
The canonical SMILES for (2R,5R)-7-methyl-2-[4-(1-methylindol-4-yl)-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride is CN1CC[C@]2(CC[C@H](c3cc(-c4cccc5c4ccn5C)ccn3)N2)C1=O.Cl.
What is the InChIKey of (2R,5R)-7-methyl-2-[4-(1-methylindol-4-yl)-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride?
The InChIKey is HSVIVYUGTIADRK-TVNLMDKXSA-N. The full InChI is InChI=1S/C22H24N4O.ClH/c1-25-12-8-17-16(4-3-5-20(17)25)15-7-11-23-19(14-15)18-6-9-22(24-18)10-13-26(2)21(22)27;/h3-5,7-8,11-12,14,18,24H,6,9-10,13H2,1-2H3;1H/t18-,22-;/m1./s1.
What are the key properties of (2R,5R)-7-methyl-2-[4-(1-methylindol-4-yl)-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride?
(2R,5R)-7-methyl-2-[4-(1-methylindol-4-yl)-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride has a molecular weight of 396.92 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-7-methyl-2-[4-(1-methylindol-4-yl)-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride is sourced from PubChem (CID 71621212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).