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

C99H112Cl10N30O2 — CID 164962359

IUPAC8-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-[7-amino-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;8-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine
SMILESCC1(CN)CCN(c2cc(N)c(-c3cccc(Cl)c3Cl)c3ncnn23)CC1.CC1(N)CCN(c2cc(N)c(-c3cccc(Cl)c3Cl)c3ncnn23)CC1.CC1OCC2(CCN(c3cc(N)c(-c4cccc(Cl)c4Cl)c4ncnn34)CC2)C1N.Nc1cc(N2CCC3(CC2)COCC3N)n2ncnc2c1-c1cccc(Cl)c1Cl.Nc1cc(N2CCC3(CCCC3N)CC2)n2ncnc2c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C21H24Cl2N6O.C21H24Cl2N6.C20H22Cl2N6O.C19H22Cl2N6.C18H20Cl2N6/c1-12-19(25)21(10-30-12)5-7-28(8-6-21)16-9-15(24)17(20-26-11-27-29(16)20)13-3-2-4-14(22)18(13)23;22-14-4-1-3-13(19(14)23)18-15(24)11-17(29-20(18)26-12-27-29)28-9-7-21(8-10-28)6-2-5-16(21)25;21-13-3-1-2-12(18(13)22)17-14(23)8-16(28-19(17)25-11-26-28)27-6-4-20(5-7-27)10-29-9-15(20)24;1-19(10-22)5-7-26(8-6-19)15-9-14(23)16(18-24-11-25-27(15)18)12-3-2-4-13(20)17(12)21;1-18(22)5-7-25(8-6-18)14-9-13(21)15(17-23-10-24-26(14)17)11-3-2-4-12(19)16(11)20/h2-4,9,11-12,19H,5-8,10,24-25H2,1H3;1,3-4,11-12,16H,2,5-10,24-25H2;1-3,8,11,15H,4-7,9-10,23-24H2;2-4,9,11H,5-8,10,22-23H2,1H3;2-4,9-10H,5-8,21-22H2,1H3
InChIKeyBZYCCHGFQCGUBO-UHFFFAOYSA-N
MW2108.72 g/mol
LogP18.68
Rot. Bonds11

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

8-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-[7-amino-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;8-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine (PubChem CID 164962359) has the molecular formula C99H112Cl10N30O2 and a molecular weight of 2108.72 g/mol. Its IUPAC name is 8-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-[7-amino-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;8-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine.

Molecular Properties

Compound Name8-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-[7-amino-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;8-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine
PubChem CID164962359
Molecular FormulaC99H112Cl10N30O2
Molecular Weight2108.72 g/mol
Exact Mass2102.65
IUPAC Name8-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-[7-amino-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;8-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine
SMILESCC1(CN)CCN(c2cc(N)c(-c3cccc(Cl)c3Cl)c3ncnn23)CC1.CC1(N)CCN(c2cc(N)c(-c3cccc(Cl)c3Cl)c3ncnn23)CC1.CC1OCC2(CCN(c3cc(N)c(-c4cccc(Cl)c4Cl)c4ncnn34)CC2)C1N.Nc1cc(N2CCC3(CC2)COCC3N)n2ncnc2c1-c1cccc(Cl)c1Cl.Nc1cc(N2CCC3(CCCC3N)CC2)n2ncnc2c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C21H24Cl2N6O.C21H24Cl2N6.C20H22Cl2N6O.C19H22Cl2N6.C18H20Cl2N6/c1-12-19(25)21(10-30-12)5-7-28(8-6-21)16-9-15(24)17(20-26-11-27-29(16)20)13-3-2-4-14(22)18(13)23;22-14-4-1-3-13(19(14)23)18-15(24)11-17(29-20(18)26-12-27-29)28-9-7-21(8-10-28)6-2-5-16(21)25;21-13-3-1-2-12(18(13)22)17-14(23)8-16(28-19(17)25-11-26-28)27-6-4-20(5-7-27)10-29-9-15(20)24;1-19(10-22)5-7-26(8-6-19)15-9-14(23)16(18-24-11-25-27(15)18)12-3-2-4-13(20)17(12)21;1-18(22)5-7-25(8-6-18)14-9-13(21)15(17-23-10-24-26(14)17)11-3-2-4-12(19)16(11)20/h2-4,9,11-12,19H,5-8,10,24-25H2,1H3;1,3-4,11-12,16H,2,5-10,24-25H2;1-3,8,11,15H,4-7,9-10,23-24H2;2-4,9,11H,5-8,10,22-23H2,1H3;2-4,9-10H,5-8,21-22H2,1H3
InChIKeyBZYCCHGFQCGUBO-UHFFFAOYSA-N
XLogP18.68
TPSA445.81 Ų
H-Bond Donors10
H-Bond Acceptors32
Rotatable Bonds11
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002108.72
LogP ≤ 518.68
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1032

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

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Frequently Asked Questions

What is the IUPAC name of 8-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-[7-amino-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;8-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine?
The IUPAC name of 8-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-[7-amino-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;8-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine (CID 164962359) is 8-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-[7-amino-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;8-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine.
What is the SMILES notation for 8-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-[7-amino-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;8-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine?
The canonical SMILES for 8-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-[7-amino-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;8-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine is CC1(CN)CCN(c2cc(N)c(-c3cccc(Cl)c3Cl)c3ncnn23)CC1.CC1(N)CCN(c2cc(N)c(-c3cccc(Cl)c3Cl)c3ncnn23)CC1.CC1OCC2(CCN(c3cc(N)c(-c4cccc(Cl)c4Cl)c4ncnn34)CC2)C1N.Nc1cc(N2CCC3(CC2)COCC3N)n2ncnc2c1-c1cccc(Cl)c1Cl.Nc1cc(N2CCC3(CCCC3N)CC2)n2ncnc2c1-c1cccc(Cl)c1Cl.
What is the InChIKey of 8-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-[7-amino-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;8-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine?
The InChIKey is BZYCCHGFQCGUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N6O.C21H24Cl2N6.C20H22Cl2N6O.C19H22Cl2N6.C18H20Cl2N6/c1-12-19(25)21(10-30-12)5-7-28(8-6-21)16-9-15(24)17(20-26-11-27-29(16)20)13-3-2-4-14(22)18(13)23;22-14-4-1-3-13(19(14)23)18-15(24)11-17(29-20(18)26-12-27-29)28-9-7-21(8-10-28)6-2-5-16(21)25;21-13-3-1-2-12(18(13)22)17-14(23)8-16(28-19(17)25-11-26-28)27-6-4-20(5-7-27)10-29-9-15(20)24;1-19(10-22)5-7-26(8-6-19)15-9-14(23)16(18-24-11-25-27(15)18)12-3-2-4-13(20)17(12)21;1-18(22)5-7-25(8-6-18)14-9-13(21)15(17-23-10-24-26(14)17)11-3-2-4-12(19)16(11)20/h2-4,9,11-12,19H,5-8,10,24-25H2,1H3;1,3-4,11-12,16H,2,5-10,24-25H2;1-3,8,11,15H,4-7,9-10,23-24H2;2-4,9,11H,5-8,10,22-23H2,1H3;2-4,9-10H,5-8,21-22H2,1H3.
What are the key properties of 8-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-[7-amino-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;8-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine?
8-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-[7-amino-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;8-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine has a molecular weight of 2108.72 g/mol, XLogP of 18.68, 11 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-[7-amino-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;8-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine is sourced from PubChem (CID 164962359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).