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

C22H24N8O — CID 172568940

IUPAC2-[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
SMILESCc1cccc(C2=NCCN(c3cc(N4CCOCC4)c4ncn(CC#N)c4n3)N2)c1
InChIInChI=1S/C22H24N8O/c1-16-3-2-4-17(13-16)21-24-6-8-30(27-21)19-14-18(28-9-11-31-12-10-28)20-22(26-19)29(7-5-23)15-25-20/h2-4,13-15H,6-12H2,1H3,(H,24,27)
InChIKeyFQZMMTGIAQXKBD-UHFFFAOYSA-N
MW416.49 g/mol
LogP1.87
Rot. Bonds4

About 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

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 (PubChem CID 172568940) has the molecular formula C22H24N8O and a molecular weight of 416.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID172568940
Molecular FormulaC22H24N8O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name2-[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
SMILESCc1cccc(C2=NCCN(c3cc(N4CCOCC4)c4ncn(CC#N)c4n3)N2)c1
InChIInChI=1S/C22H24N8O/c1-16-3-2-4-17(13-16)21-24-6-8-30(27-21)19-14-18(28-9-11-31-12-10-28)20-22(26-19)29(7-5-23)15-25-20/h2-4,13-15H,6-12H2,1H3,(H,24,27)
InChIKeyFQZMMTGIAQXKBD-UHFFFAOYSA-N
XLogP1.87
TPSA94.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
4-[3-(azetidin-3-ylmethyl)-5-[3-(3-methylphenyl)pyrazol-1-yl]imidazo[4,5-b]pyridin-7-yl]morpholine
CID 172568691
[1-[3-(cyclopropylmethyl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-yl]-3-(3-methylphenyl)pyrazol-5-yl]methanol
CID 172568664
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
1-[[5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]methyl]cyclopropane-1-carbonitrile
CID 172568809
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
2-[6-(3-methylphenyl)-2-[2-[3-[2-morpholin-4-yl-9-(1-phenylethyl)purin-6-yl]phenoxy]morpholin-4-yl]purin-9-yl]acetonitrile
CID 143785485
4-[[5-[(2E)-2-[1-(3-methylphenyl)ethylidene]hydrazinyl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]methyl]-2-oxabicyclo[2.1.1]hexane-1-carbonitrile
CID 172568915
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
4-[5-[3-(3-methylphenyl)pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-7-yl]morpholine
CID 172568284
N-methyl-2-[7-morpholin-4-yl-5-[3-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 172568584
N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-amine
CID 170724562

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc(C2=NCCN(c3cc(N4CCOCC4)c4ncn(CC#N)c4n3)N2)c1.
What is the InChIKey of 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?
The InChIKey is FQZMMTGIAQXKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O/c1-16-3-2-4-17(13-16)21-24-6-8-30(27-21)19-14-18(28-9-11-31-12-10-28)20-22(26-19)29(7-5-23)15-25-20/h2-4,13-15H,6-12H2,1H3,(H,24,27).
What are the key properties of 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?
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 has a molecular weight of 416.49 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 172568940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).