3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[6-(oxan-4-yl)-1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[6-(oxan-4-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-N-propan-2-yl-6-[6-propan-2-yl-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C105H120N36O3 — CID 158126787

IUPAC3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[6-(oxan-4-yl)-1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[6-(oxan-4-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-N-propan-2-yl-6-[6-propan-2-yl-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCc1nnc2c(NC(C)C)nc(-c3nc4ccc(C5CCOCC5)cc4n3Cc3ccccn3)cn12.Cc1nnc2c(NC(C)C)nc(-c3nc4cnc(C(C)C)cc4n3[C@@H](C)c3ccccn3)cn12.Cc1nnc2c(NC(C)C)nc(-c3nc4cnc(C5CCOCC5)cc4n3Cc3ccccn3)cn12.Cc1nnc2c(NC(C)C)nc(-c3nc4cnc(N5CCOC[C@@H]5C)cc4n3[C@@H](C)c3ccccn3)cn12
InChIInChI=1S/C27H32N10O.C27H30N8O.C26H29N9O.C25H29N9/c1-16(2)30-25-27-34-33-19(5)36(27)14-22(31-25)26-32-21-13-29-24(35-10-11-38-15-17(35)3)12-23(21)37(26)18(4)20-8-6-7-9-28-20;1-17(2)29-25-27-33-32-18(3)34(27)16-23(30-25)26-31-22-8-7-20(19-9-12-36-13-10-19)14-24(22)35(26)15-21-6-4-5-11-28-21;1-16(2)29-24-26-33-32-17(3)34(26)15-22(30-24)25-31-21-13-28-20(18-7-10-36-11-8-18)12-23(21)35(25)14-19-6-4-5-9-27-19;1-14(2)19-11-22-20(12-27-19)30-24(34(22)16(5)18-9-7-8-10-26-18)21-13-33-17(6)31-32-25(33)23(29-21)28-15(3)4/h6-9,12-14,16-18H,10-11,15H2,1-5H3,(H,30,31);4-8,11,14,16-17,19H,9-10,12-13,15H2,1-3H3,(H,29,30);4-6,9,12-13,15-16,18H,7-8,10-11,14H2,1-3H3,(H,29,30);7-16H,1-6H3,(H,28,29)/t17-,18-;;;16-/m0..0/s1
InChIKeyFSGTUVDEQJQGJP-XJHVBZSKSA-N
MW1934.36 g/mol
LogP17.30
Rot. Bonds24

About 3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[6-(oxan-4-yl)-1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[6-(oxan-4-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-N-propan-2-yl-6-[6-propan-2-yl-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[6-(oxan-4-yl)-1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[6-(oxan-4-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-N-propan-2-yl-6-[6-propan-2-yl-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 158126787) has the molecular formula C105H120N36O3 and a molecular weight of 1934.36 g/mol. Its IUPAC name is 3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[6-(oxan-4-yl)-1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[6-(oxan-4-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-N-propan-2-yl-6-[6-propan-2-yl-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[6-(oxan-4-yl)-1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[6-(oxan-4-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-N-propan-2-yl-6-[6-propan-2-yl-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID158126787
Molecular FormulaC105H120N36O3
Molecular Weight1934.36 g/mol
Exact Mass1933.03
IUPAC Name3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[6-(oxan-4-yl)-1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[6-(oxan-4-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-N-propan-2-yl-6-[6-propan-2-yl-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCc1nnc2c(NC(C)C)nc(-c3nc4ccc(C5CCOCC5)cc4n3Cc3ccccn3)cn12.Cc1nnc2c(NC(C)C)nc(-c3nc4cnc(C(C)C)cc4n3[C@@H](C)c3ccccn3)cn12.Cc1nnc2c(NC(C)C)nc(-c3nc4cnc(C5CCOCC5)cc4n3Cc3ccccn3)cn12.Cc1nnc2c(NC(C)C)nc(-c3nc4cnc(N5CCOC[C@@H]5C)cc4n3[C@@H](C)c3ccccn3)cn12
InChIInChI=1S/C27H32N10O.C27H30N8O.C26H29N9O.C25H29N9/c1-16(2)30-25-27-34-33-19(5)36(27)14-22(31-25)26-32-21-13-29-24(35-10-11-38-15-17(35)3)12-23(21)37(26)18(4)20-8-6-7-9-28-20;1-17(2)29-25-27-33-32-18(3)34(27)16-23(30-25)26-31-22-8-7-20(19-9-12-36-13-10-19)14-24(22)35(26)15-21-6-4-5-11-28-21;1-16(2)29-24-26-33-32-17(3)34(26)15-22(30-24)25-31-21-13-28-20(18-7-10-36-11-8-18)12-23(21)35(25)14-19-6-4-5-9-27-19;1-14(2)19-11-22-20(12-27-19)30-24(34(22)16(5)18-9-7-8-10-26-18)21-13-33-17(6)31-32-25(33)23(29-21)28-15(3)4/h6-9,12-14,16-18H,10-11,15H2,1-5H3,(H,30,31);4-8,11,14,16-17,19H,9-10,12-13,15H2,1-3H3,(H,29,30);4-6,9,12-13,15-16,18H,7-8,10-11,14H2,1-3H3,(H,29,30);7-16H,1-6H3,(H,28,29)/t17-,18-;;;16-/m0..0/s1
InChIKeyFSGTUVDEQJQGJP-XJHVBZSKSA-N
XLogP17.30
TPSA412.88 Ų
H-Bond Donors4
H-Bond Acceptors39
Rotatable Bonds24
Heavy Atoms144
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001934.36
LogP ≤ 517.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1039

Analyze 3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[6-(oxan-4-yl)-1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[6-(oxan-4-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-N-propan-2-yl-6-[6-propan-2-yl-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[6-(oxan-4-yl)-1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[6-(oxan-4-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-N-propan-2-yl-6-[6-propan-2-yl-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[6-(oxan-4-yl)-1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[6-(oxan-4-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-N-propan-2-yl-6-[6-propan-2-yl-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 158126787) is 3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[6-(oxan-4-yl)-1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[6-(oxan-4-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-N-propan-2-yl-6-[6-propan-2-yl-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[6-(oxan-4-yl)-1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[6-(oxan-4-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-N-propan-2-yl-6-[6-propan-2-yl-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[6-(oxan-4-yl)-1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[6-(oxan-4-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-N-propan-2-yl-6-[6-propan-2-yl-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is Cc1nnc2c(NC(C)C)nc(-c3nc4ccc(C5CCOCC5)cc4n3Cc3ccccn3)cn12.Cc1nnc2c(NC(C)C)nc(-c3nc4cnc(C(C)C)cc4n3[C@@H](C)c3ccccn3)cn12.Cc1nnc2c(NC(C)C)nc(-c3nc4cnc(C5CCOCC5)cc4n3Cc3ccccn3)cn12.Cc1nnc2c(NC(C)C)nc(-c3nc4cnc(N5CCOC[C@@H]5C)cc4n3[C@@H](C)c3ccccn3)cn12.
What is the InChIKey of 3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[6-(oxan-4-yl)-1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[6-(oxan-4-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-N-propan-2-yl-6-[6-propan-2-yl-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is FSGTUVDEQJQGJP-XJHVBZSKSA-N. The full InChI is InChI=1S/C27H32N10O.C27H30N8O.C26H29N9O.C25H29N9/c1-16(2)30-25-27-34-33-19(5)36(27)14-22(31-25)26-32-21-13-29-24(35-10-11-38-15-17(35)3)12-23(21)37(26)18(4)20-8-6-7-9-28-20;1-17(2)29-25-27-33-32-18(3)34(27)16-23(30-25)26-31-22-8-7-20(19-9-12-36-13-10-19)14-24(22)35(26)15-21-6-4-5-11-28-21;1-16(2)29-24-26-33-32-17(3)34(26)15-22(30-24)25-31-21-13-28-20(18-7-10-36-11-8-18)12-23(21)35(25)14-19-6-4-5-9-27-19;1-14(2)19-11-22-20(12-27-19)30-24(34(22)16(5)18-9-7-8-10-26-18)21-13-33-17(6)31-32-25(33)23(29-21)28-15(3)4/h6-9,12-14,16-18H,10-11,15H2,1-5H3,(H,30,31);4-8,11,14,16-17,19H,9-10,12-13,15H2,1-3H3,(H,29,30);4-6,9,12-13,15-16,18H,7-8,10-11,14H2,1-3H3,(H,29,30);7-16H,1-6H3,(H,28,29)/t17-,18-;;;16-/m0..0/s1.
What are the key properties of 3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[6-(oxan-4-yl)-1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[6-(oxan-4-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-N-propan-2-yl-6-[6-propan-2-yl-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[6-(oxan-4-yl)-1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[6-(oxan-4-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-N-propan-2-yl-6-[6-propan-2-yl-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 1934.36 g/mol, XLogP of 17.30, 24 rotatable bonds, 4 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[6-(oxan-4-yl)-1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[6-(oxan-4-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-N-propan-2-yl-6-[6-propan-2-yl-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 158126787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).