5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

C104H117Cl10N25O7 — CID 165057669

IUPAC5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCc1cc(N2CCC(C)(CN)CC2)n2c(=O)[nH]nc2c1-c1cccc(Cl)c1Cl.Cc1cc(N2CCC(C)(N)CC2)n2c(=O)[nH]nc2c1-c1cccc(Cl)c1Cl.Cc1cc(N2CCC3(CC2)COC(C)C3N)n2c(=O)[nH]nc2c1-c1cccc(Cl)c1Cl.Cc1cc(N2CCC3(CC2)COCC3N)n2c(=O)[nH]nc2c1-c1cccc(Cl)c1Cl.Cc1cc(N2CCC3(CCCC3N)CC2)n2c(=O)[nH]nc2c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C22H25Cl2N5O2.C22H25Cl2N5O.C21H23Cl2N5O2.C20H23Cl2N5O.C19H21Cl2N5O/c1-12-10-16(28-8-6-22(7-9-28)11-31-13(2)19(22)25)29-20(26-27-21(29)30)17(12)14-4-3-5-15(23)18(14)24;1-13-12-17(28-10-8-22(9-11-28)7-3-6-16(22)25)29-20(26-27-21(29)30)18(13)14-4-2-5-15(23)19(14)24;1-12-9-16(27-7-5-21(6-8-27)11-30-10-15(21)24)28-19(25-26-20(28)29)17(12)13-3-2-4-14(22)18(13)23;1-12-10-15(26-8-6-20(2,11-23)7-9-26)27-18(24-25-19(27)28)16(12)13-4-3-5-14(21)17(13)22;1-11-10-14(25-8-6-19(2,22)7-9-25)26-17(23-24-18(26)27)15(11)12-4-3-5-13(20)16(12)21/h3-5,10,13,19H,6-9,11,25H2,1-2H3,(H,27,30);2,4-5,12,16H,3,6-11,25H2,1H3,(H,27,30);2-4,9,15H,5-8,10-11,24H2,1H3,(H,26,29);3-5,10H,6-9,11,23H2,1-2H3,(H,25,28);3-5,10H,6-9,22H2,1-2H3,(H,24,27)
InChIKeyQRQLYGGSPRCCHT-UHFFFAOYSA-N
MW2183.78 g/mol
LogP18.78
Rot. Bonds11

About 5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 165057669) has the molecular formula C104H117Cl10N25O7 and a molecular weight of 2183.78 g/mol. Its IUPAC name is 5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID165057669
Molecular FormulaC104H117Cl10N25O7
Molecular Weight2183.78 g/mol
Exact Mass2177.65
IUPAC Name5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCc1cc(N2CCC(C)(CN)CC2)n2c(=O)[nH]nc2c1-c1cccc(Cl)c1Cl.Cc1cc(N2CCC(C)(N)CC2)n2c(=O)[nH]nc2c1-c1cccc(Cl)c1Cl.Cc1cc(N2CCC3(CC2)COC(C)C3N)n2c(=O)[nH]nc2c1-c1cccc(Cl)c1Cl.Cc1cc(N2CCC3(CC2)COCC3N)n2c(=O)[nH]nc2c1-c1cccc(Cl)c1Cl.Cc1cc(N2CCC3(CCCC3N)CC2)n2c(=O)[nH]nc2c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C22H25Cl2N5O2.C22H25Cl2N5O.C21H23Cl2N5O2.C20H23Cl2N5O.C19H21Cl2N5O/c1-12-10-16(28-8-6-22(7-9-28)11-31-13(2)19(22)25)29-20(26-27-21(29)30)17(12)14-4-3-5-15(23)18(14)24;1-13-12-17(28-10-8-22(9-11-28)7-3-6-16(22)25)29-20(26-27-21(29)30)18(13)14-4-2-5-15(23)19(14)24;1-12-9-16(27-7-5-21(6-8-27)11-30-10-15(21)24)28-19(25-26-20(28)29)17(12)13-3-2-4-14(22)18(13)23;1-12-10-15(26-8-6-20(2,11-23)7-9-26)27-18(24-25-19(27)28)16(12)13-4-3-5-14(21)17(13)22;1-11-10-14(25-8-6-19(2,22)7-9-25)26-17(23-24-18(26)27)15(11)12-4-3-5-13(20)16(12)21/h3-5,10,13,19H,6-9,11,25H2,1-2H3,(H,27,30);2,4-5,12,16H,3,6-11,25H2,1H3,(H,27,30);2-4,9,15H,5-8,10-11,24H2,1H3,(H,26,29);3-5,10H,6-9,11,23H2,1-2H3,(H,25,28);3-5,10H,6-9,22H2,1-2H3,(H,24,27)
InChIKeyQRQLYGGSPRCCHT-UHFFFAOYSA-N
XLogP18.78
TPSA415.56 Ų
H-Bond Donors10
H-Bond Acceptors27
Rotatable Bonds11
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002183.78
LogP ≤ 518.78
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1027

Analyze 5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Launch Full Analysis

Related Compounds

8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine
CID 165070632
[8-(2-amino-3-chloro-4-pyridinyl)-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]methanol
CID 164743522
1-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl]-4-methylpiperidin-4-amine
CID 148722082
8-[8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 164743800
(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 164743715
4-[5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one
CID 164743566
(3S,4S)-8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 155537362
(4R)-8-[7-amino-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;1-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;(3S,4S)-3-methyl-8-[8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[8-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
CID 163527306
8-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 164743853
2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 155095691
6-[(3R,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichloro-6-fluorophenyl)-2-methylpyrimidin-4-one
CID 162369005
5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile
CID 164743572

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 165057669) is 5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is Cc1cc(N2CCC(C)(CN)CC2)n2c(=O)[nH]nc2c1-c1cccc(Cl)c1Cl.Cc1cc(N2CCC(C)(N)CC2)n2c(=O)[nH]nc2c1-c1cccc(Cl)c1Cl.Cc1cc(N2CCC3(CC2)COC(C)C3N)n2c(=O)[nH]nc2c1-c1cccc(Cl)c1Cl.Cc1cc(N2CCC3(CC2)COCC3N)n2c(=O)[nH]nc2c1-c1cccc(Cl)c1Cl.Cc1cc(N2CCC3(CCCC3N)CC2)n2c(=O)[nH]nc2c1-c1cccc(Cl)c1Cl.
What is the InChIKey of 5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is QRQLYGGSPRCCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N5O2.C22H25Cl2N5O.C21H23Cl2N5O2.C20H23Cl2N5O.C19H21Cl2N5O/c1-12-10-16(28-8-6-22(7-9-28)11-31-13(2)19(22)25)29-20(26-27-21(29)30)17(12)14-4-3-5-15(23)18(14)24;1-13-12-17(28-10-8-22(9-11-28)7-3-6-16(22)25)29-20(26-27-21(29)30)18(13)14-4-2-5-15(23)19(14)24;1-12-9-16(27-7-5-21(6-8-27)11-30-10-15(21)24)28-19(25-26-20(28)29)17(12)13-3-2-4-14(22)18(13)23;1-12-10-15(26-8-6-20(2,11-23)7-9-26)27-18(24-25-19(27)28)16(12)13-4-3-5-14(21)17(13)22;1-11-10-14(25-8-6-19(2,22)7-9-25)26-17(23-24-18(26)27)15(11)12-4-3-5-13(20)16(12)21/h3-5,10,13,19H,6-9,11,25H2,1-2H3,(H,27,30);2,4-5,12,16H,3,6-11,25H2,1H3,(H,27,30);2-4,9,15H,5-8,10-11,24H2,1H3,(H,26,29);3-5,10H,6-9,11,23H2,1-2H3,(H,25,28);3-5,10H,6-9,22H2,1-2H3,(H,24,27).
What are the key properties of 5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 2183.78 g/mol, XLogP of 18.78, 11 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 165057669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).