6-[6-methoxy-1-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[1-[(6-methyl-2-pyridinyl)methyl]-6-morpholin-4-ylimidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C48H55N19O2 — CID 144627273

IUPAC6-[6-methoxy-1-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[1-[(6-methyl-2-pyridinyl)methyl]-6-morpholin-4-ylimidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESC=C/C=C(/Cn1c(-c2cn3c(C)nnc3c(NC(C)C)n2)nc2cnc(OC)cc21)N=C.Cc1cccc(Cn2c(-c3cn4c(C)nnc4c(NC(C)C)n3)nc3cnc(N4CCOCC4)cc32)n1
InChIInChI=1S/C26H30N10O.C22H25N9O/c1-16(2)28-24-26-33-32-18(4)35(26)15-21(30-24)25-31-20-13-27-23(34-8-10-37-11-9-34)12-22(20)36(25)14-19-7-5-6-17(3)29-19;1-7-8-15(23-5)11-31-18-9-19(32-6)24-10-16(18)27-21(31)17-12-30-14(4)28-29-22(30)20(26-17)25-13(2)3/h5-7,12-13,15-16H,8-11,14H2,1-4H3,(H,28,30);7-10,12-13H,1,5,11H2,2-4,6H3,(H,25,26)/b;15-8-
InChIKeyHHEBMUBUVCMABR-JUYHGNPKSA-N
MW930.10 g/mol
LogP6.70
Rot. Bonds14

About 6-[6-methoxy-1-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[1-[(6-methyl-2-pyridinyl)methyl]-6-morpholin-4-ylimidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

6-[6-methoxy-1-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[1-[(6-methyl-2-pyridinyl)methyl]-6-morpholin-4-ylimidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 144627273) has the molecular formula C48H55N19O2 and a molecular weight of 930.10 g/mol. Its IUPAC name is 6-[6-methoxy-1-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[1-[(6-methyl-2-pyridinyl)methyl]-6-morpholin-4-ylimidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-[6-methoxy-1-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[1-[(6-methyl-2-pyridinyl)methyl]-6-morpholin-4-ylimidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID144627273
Molecular FormulaC48H55N19O2
Molecular Weight930.10 g/mol
Exact Mass929.48
IUPAC Name6-[6-methoxy-1-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[1-[(6-methyl-2-pyridinyl)methyl]-6-morpholin-4-ylimidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESC=C/C=C(/Cn1c(-c2cn3c(C)nnc3c(NC(C)C)n2)nc2cnc(OC)cc21)N=C.Cc1cccc(Cn2c(-c3cn4c(C)nnc4c(NC(C)C)n3)nc3cnc(N4CCOCC4)cc32)n1
InChIInChI=1S/C26H30N10O.C22H25N9O/c1-16(2)28-24-26-33-32-18(4)35(26)15-21(30-24)25-31-20-13-27-23(34-8-10-37-11-9-34)12-22(20)36(25)14-19-7-5-6-17(3)29-19;1-7-8-15(23-5)11-31-18-9-19(32-6)24-10-16(18)27-21(31)17-12-30-14(4)28-29-22(30)20(26-17)25-13(2)3/h5-7,12-13,15-16H,8-11,14H2,1-4H3,(H,28,30);7-10,12-13H,1,5,11H2,2-4,6H3,(H,25,26)/b;15-8-
InChIKeyHHEBMUBUVCMABR-JUYHGNPKSA-N
XLogP6.70
TPSA218.59 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds14
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500930.10
LogP ≤ 56.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 6-[6-methoxy-1-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[1-[(6-methyl-2-pyridinyl)methyl]-6-morpholin-4-ylimidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine with MolForge

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Related Compounds

WO2022090481, Example I-022
CID 163273430
US9266891, III-39
CID 76070631
(1R,4R)-5-[2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 164514234
12-methoxy-N-[3-[4-[3-[(12-methoxy-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)amino]propyl]piperazin-1-yl]propyl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine
CID 11284804
8-cyclopentyl-N-[6-(2-methoxy-4-pyridinyl)pyridazin-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299968
US9266891, III-24
CID 76072257
US10336761, Example 113
CID 126484420
US10336761, Example 105
CID 135262403
WO2022090481, Example I-173
CID 163273431
WO2022090481, Example I-180
CID 164514238
WO2022090481, Example I-221
CID 164514250
WO2022090481, Example I-029
CID 164514169

Frequently Asked Questions

What is the IUPAC name of 6-[6-methoxy-1-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[1-[(6-methyl-2-pyridinyl)methyl]-6-morpholin-4-ylimidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 6-[6-methoxy-1-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[1-[(6-methyl-2-pyridinyl)methyl]-6-morpholin-4-ylimidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 144627273) is 6-[6-methoxy-1-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[1-[(6-methyl-2-pyridinyl)methyl]-6-morpholin-4-ylimidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 6-[6-methoxy-1-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[1-[(6-methyl-2-pyridinyl)methyl]-6-morpholin-4-ylimidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 6-[6-methoxy-1-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[1-[(6-methyl-2-pyridinyl)methyl]-6-morpholin-4-ylimidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is C=C/C=C(/Cn1c(-c2cn3c(C)nnc3c(NC(C)C)n2)nc2cnc(OC)cc21)N=C.Cc1cccc(Cn2c(-c3cn4c(C)nnc4c(NC(C)C)n3)nc3cnc(N4CCOCC4)cc32)n1.
What is the InChIKey of 6-[6-methoxy-1-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[1-[(6-methyl-2-pyridinyl)methyl]-6-morpholin-4-ylimidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is HHEBMUBUVCMABR-JUYHGNPKSA-N. The full InChI is InChI=1S/C26H30N10O.C22H25N9O/c1-16(2)28-24-26-33-32-18(4)35(26)15-21(30-24)25-31-20-13-27-23(34-8-10-37-11-9-34)12-22(20)36(25)14-19-7-5-6-17(3)29-19;1-7-8-15(23-5)11-31-18-9-19(32-6)24-10-16(18)27-21(31)17-12-30-14(4)28-29-22(30)20(26-17)25-13(2)3/h5-7,12-13,15-16H,8-11,14H2,1-4H3,(H,28,30);7-10,12-13H,1,5,11H2,2-4,6H3,(H,25,26)/b;15-8-.
What are the key properties of 6-[6-methoxy-1-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[1-[(6-methyl-2-pyridinyl)methyl]-6-morpholin-4-ylimidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
6-[6-methoxy-1-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[1-[(6-methyl-2-pyridinyl)methyl]-6-morpholin-4-ylimidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 930.10 g/mol, XLogP of 6.70, 14 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-methoxy-1-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[1-[(6-methyl-2-pyridinyl)methyl]-6-morpholin-4-ylimidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 144627273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).