4-[3-methyl-5-[3-(3-methylphenyl)-5,6-dihydro-2H-1,2,4-triazin-1-yl]-2-pyridin-3-ylimidazo[4,5-b]pyridin-7-yl]morpholine

C26H28N8O — CID 172568812

IUPAC4-[3-methyl-5-[3-(3-methylphenyl)-5,6-dihydro-2H-1,2,4-triazin-1-yl]-2-pyridin-3-ylimidazo[4,5-b]pyridin-7-yl]morpholine
SMILESCc1cccc(C2=NCCN(c3cc(N4CCOCC4)c4nc(-c5cccnc5)n(C)c4n3)N2)c1
InChIInChI=1S/C26H28N8O/c1-18-5-3-6-19(15-18)24-28-9-10-34(31-24)22-16-21(33-11-13-35-14-12-33)23-26(29-22)32(2)25(30-23)20-7-4-8-27-17-20/h3-8,15-17H,9-14H2,1-2H3,(H,28,31)
InChIKeyWFFMOKZDAKILOZ-UHFFFAOYSA-N
MW468.57 g/mol
LogP2.95
Rot. Bonds4

About 4-[3-methyl-5-[3-(3-methylphenyl)-5,6-dihydro-2H-1,2,4-triazin-1-yl]-2-pyridin-3-ylimidazo[4,5-b]pyridin-7-yl]morpholine

4-[3-methyl-5-[3-(3-methylphenyl)-5,6-dihydro-2H-1,2,4-triazin-1-yl]-2-pyridin-3-ylimidazo[4,5-b]pyridin-7-yl]morpholine (PubChem CID 172568812) has the molecular formula C26H28N8O and a molecular weight of 468.57 g/mol. Its IUPAC name is 4-[3-methyl-5-[3-(3-methylphenyl)-5,6-dihydro-2H-1,2,4-triazin-1-yl]-2-pyridin-3-ylimidazo[4,5-b]pyridin-7-yl]morpholine.

Molecular Properties

Compound Name4-[3-methyl-5-[3-(3-methylphenyl)-5,6-dihydro-2H-1,2,4-triazin-1-yl]-2-pyridin-3-ylimidazo[4,5-b]pyridin-7-yl]morpholine
PubChem CID172568812
Molecular FormulaC26H28N8O
Molecular Weight468.57 g/mol
Exact Mass468.24
IUPAC Name4-[3-methyl-5-[3-(3-methylphenyl)-5,6-dihydro-2H-1,2,4-triazin-1-yl]-2-pyridin-3-ylimidazo[4,5-b]pyridin-7-yl]morpholine
SMILESCc1cccc(C2=NCCN(c3cc(N4CCOCC4)c4nc(-c5cccnc5)n(C)c4n3)N2)c1
InChIInChI=1S/C26H28N8O/c1-18-5-3-6-19(15-18)24-28-9-10-34(31-24)22-16-21(33-11-13-35-14-12-33)23-26(29-22)32(2)25(30-23)20-7-4-8-27-17-20/h3-8,15-17H,9-14H2,1-2H3,(H,28,31)
InChIKeyWFFMOKZDAKILOZ-UHFFFAOYSA-N
XLogP2.95
TPSA83.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.57
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[3-methyl-5-[3-(3-methylphenyl)-5,6-dihydro-2H-1,2,4-triazin-1-yl]-2-pyridin-3-ylimidazo[4,5-b]pyridin-7-yl]morpholine with MolForge

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Related Compounds

2-[5-[3-(3-methylphenyl)-5,6-dihydro-2H-1,2,4-triazin-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]acetonitrile
CID 172568940
3-methyl-N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-(1H-pyrazol-4-yl)imidazo[4,5-b]pyridin-5-amine
CID 172568867
N-[(1R)-2-methyl-1-[3-methyl-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]propyl]acetamide
CID 172568525
4-[4-[3-(3-methylphenyl)pyrazol-1-yl]-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-6-yl]morpholine
CID 172568696
5-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-1,3-diazinan-2-one
CID 172568603
4-[3-(azetidin-3-ylmethyl)-5-[3-(3-methylphenyl)pyrazol-1-yl]imidazo[4,5-b]pyridin-7-yl]morpholine
CID 172568691
1-[2-(chloromethyl)-3-ethyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-yl]-3-(3-methylphenyl)pyrazole-5-carbaldehyde;methoxyethane
CID 172568572
4-[5-[3-(3-methylphenyl)pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-7-yl]morpholine
CID 172568284
2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyridin-3-ylfuro[3,2-d]pyrimidine
CID 166164628
4-[3-(cyclopropylmethyl)-5-[6-(3-methylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-2-(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-7-yl]morpholine
CID 172568838
methylidenephosphane;3-(3-methylphenyl)pyridine
CID 144875841
1-[3-(2-methoxyethyl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-yl]-N,N-dimethyl-3-(3-methylphenyl)pyrazole-5-carboxamide
CID 172568503

Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-5-[3-(3-methylphenyl)-5,6-dihydro-2H-1,2,4-triazin-1-yl]-2-pyridin-3-ylimidazo[4,5-b]pyridin-7-yl]morpholine?
The IUPAC name of 4-[3-methyl-5-[3-(3-methylphenyl)-5,6-dihydro-2H-1,2,4-triazin-1-yl]-2-pyridin-3-ylimidazo[4,5-b]pyridin-7-yl]morpholine (CID 172568812) is 4-[3-methyl-5-[3-(3-methylphenyl)-5,6-dihydro-2H-1,2,4-triazin-1-yl]-2-pyridin-3-ylimidazo[4,5-b]pyridin-7-yl]morpholine.
What is the SMILES notation for 4-[3-methyl-5-[3-(3-methylphenyl)-5,6-dihydro-2H-1,2,4-triazin-1-yl]-2-pyridin-3-ylimidazo[4,5-b]pyridin-7-yl]morpholine?
The canonical SMILES for 4-[3-methyl-5-[3-(3-methylphenyl)-5,6-dihydro-2H-1,2,4-triazin-1-yl]-2-pyridin-3-ylimidazo[4,5-b]pyridin-7-yl]morpholine is Cc1cccc(C2=NCCN(c3cc(N4CCOCC4)c4nc(-c5cccnc5)n(C)c4n3)N2)c1.
What is the InChIKey of 4-[3-methyl-5-[3-(3-methylphenyl)-5,6-dihydro-2H-1,2,4-triazin-1-yl]-2-pyridin-3-ylimidazo[4,5-b]pyridin-7-yl]morpholine?
The InChIKey is WFFMOKZDAKILOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8O/c1-18-5-3-6-19(15-18)24-28-9-10-34(31-24)22-16-21(33-11-13-35-14-12-33)23-26(29-22)32(2)25(30-23)20-7-4-8-27-17-20/h3-8,15-17H,9-14H2,1-2H3,(H,28,31).
What are the key properties of 4-[3-methyl-5-[3-(3-methylphenyl)-5,6-dihydro-2H-1,2,4-triazin-1-yl]-2-pyridin-3-ylimidazo[4,5-b]pyridin-7-yl]morpholine?
4-[3-methyl-5-[3-(3-methylphenyl)-5,6-dihydro-2H-1,2,4-triazin-1-yl]-2-pyridin-3-ylimidazo[4,5-b]pyridin-7-yl]morpholine has a molecular weight of 468.57 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-5-[3-(3-methylphenyl)-5,6-dihydro-2H-1,2,4-triazin-1-yl]-2-pyridin-3-ylimidazo[4,5-b]pyridin-7-yl]morpholine is sourced from PubChem (CID 172568812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).