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

C24H26N6O — CID 172568696

IUPAC4-[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
SMILESCc1cccc(-c2ccn(-c3cc(N4CCOCC4)c4nc5n(c4n3)CCCC5)n2)c1
InChIInChI=1S/C24H26N6O/c1-17-5-4-6-18(15-17)19-8-10-30(27-19)22-16-20(28-11-13-31-14-12-28)23-24(26-22)29-9-3-2-7-21(29)25-23/h4-6,8,10,15-16H,2-3,7,9,11-14H2,1H3
InChIKeyNUKBJEIOBFGPJZ-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.77
Rot. Bonds3

About 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

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 (PubChem CID 172568696) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID172568696
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name4-[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
SMILESCc1cccc(-c2ccn(-c3cc(N4CCOCC4)c4nc5n(c4n3)CCCC5)n2)c1
InChIInChI=1S/C24H26N6O/c1-17-5-4-6-18(15-17)19-8-10-30(27-19)22-16-20(28-11-13-31-14-12-28)23-24(26-22)29-9-3-2-7-21(29)25-23/h4-6,8,10,15-16H,2-3,7,9,11-14H2,1H3
InChIKeyNUKBJEIOBFGPJZ-UHFFFAOYSA-N
XLogP3.77
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

4-[3-(azetidin-3-ylmethyl)-5-[3-(3-methylphenyl)pyrazol-1-yl]imidazo[4,5-b]pyridin-7-yl]morpholine
CID 172568691
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-[5-[3-(3-methylphenyl)pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-7-yl]morpholine
CID 172568284
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-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-propyl-5H-cyclopenta[b]pyridin-4-yl]morpholine
CID 167250067
4-[2-(chloromethyl)-5-[3-(3-methylphenyl)pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-7-yl]morpholine
CID 169032485
3-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylfuro[3,2-b]pyridin-2-yl]cyclopent-2-en-1-one
CID 166156101
4-[2-(2-methoxyethyl)-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
CID 156831967
2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]propane-1,2-diol
CID 170269025
N,N-dimethyl-1-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-2-yl]piperidin-4-amine
CID 169032630
4-[5-[3-(3-methylphenyl)pyrazol-1-yl]-2-(1-oxidopyridin-1-ium-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 163266571
4-[2-(3,4-dihydropyridin-6-yl)-5-[3-(3-methylphenyl)pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-7-yl]morpholine
CID 172568672

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)c4nc5n(c4n3)CCCC5)n2)c1.
What is the InChIKey of 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?
The InChIKey is NUKBJEIOBFGPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-17-5-4-6-18(15-17)19-8-10-30(27-19)22-16-20(28-11-13-31-14-12-28)23-24(26-22)29-9-3-2-7-21(29)25-23/h4-6,8,10,15-16H,2-3,7,9,11-14H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 414.51 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 172568696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).