5-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-1,3-diazinan-2-one

C24H26N8O2 — CID 172568603

IUPAC5-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-1,3-diazinan-2-one
SMILESCc1cccc(-c2ccn(-c3cc(N4CCOCC4)c4ncn(C5CNC(=O)NC5)c4n3)n2)c1
InChIInChI=1S/C24H26N8O2/c1-16-3-2-4-17(11-16)19-5-6-32(29-19)21-12-20(30-7-9-34-10-8-30)22-23(28-21)31(15-27-22)18-13-25-24(33)26-14-18/h2-6,11-12,15,18H,7-10,13-14H2,1H3,(H2,25,26,33)
InChIKeyGVGQXCWGKGGRRM-UHFFFAOYSA-N
MW458.53 g/mol
LogP2.28
Rot. Bonds4

About 5-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-1,3-diazinan-2-one

5-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-1,3-diazinan-2-one (PubChem CID 172568603) has the molecular formula C24H26N8O2 and a molecular weight of 458.53 g/mol. Its IUPAC name is 5-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name5-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-1,3-diazinan-2-one
PubChem CID172568603
Molecular FormulaC24H26N8O2
Molecular Weight458.53 g/mol
Exact Mass458.22
IUPAC Name5-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-1,3-diazinan-2-one
SMILESCc1cccc(-c2ccn(-c3cc(N4CCOCC4)c4ncn(C5CNC(=O)NC5)c4n3)n2)c1
InChIInChI=1S/C24H26N8O2/c1-16-3-2-4-17(11-16)19-5-6-32(29-19)21-12-20(30-7-9-34-10-8-30)22-23(28-21)31(15-27-22)18-13-25-24(33)26-14-18/h2-6,11-12,15,18H,7-10,13-14H2,1H3,(H2,25,26,33)
InChIKeyGVGQXCWGKGGRRM-UHFFFAOYSA-N
XLogP2.28
TPSA102.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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
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-[(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-(chloromethyl)-5-[3-(3-methylphenyl)pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-7-yl]morpholine
CID 169032485
4-[5-[3-(3-cyclopropylphenyl)pyrazol-1-yl]-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-7-yl]morpholine
CID 172568535
[1-[3-(cyclopropylmethyl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-yl]-3-(3-methylphenyl)pyrazol-5-yl]methanol
CID 172568664
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,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
N-[(3,5-dimethoxyphenyl)methyl]-6-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-3-nitropyridin-2-amine
CID 172568305
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-[3-(3-methylphenyl)pyrazol-1-yl]-6-propyl-5H-cyclopenta[b]pyridin-4-yl]morpholine
CID 167250067

Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-1,3-diazinan-2-one?
The IUPAC name of 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) is 5-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-1,3-diazinan-2-one.
What is the SMILES notation for 5-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-1,3-diazinan-2-one?
The canonical SMILES for 5-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-1,3-diazinan-2-one is Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)c4ncn(C5CNC(=O)NC5)c4n3)n2)c1.
What is the InChIKey of 5-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-1,3-diazinan-2-one?
The InChIKey is GVGQXCWGKGGRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O2/c1-16-3-2-4-17(11-16)19-5-6-32(29-19)21-12-20(30-7-9-34-10-8-30)22-23(28-21)31(15-27-22)18-13-25-24(33)26-14-18/h2-6,11-12,15,18H,7-10,13-14H2,1H3,(H2,25,26,33).
What are the key properties of 5-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-1,3-diazinan-2-one?
5-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-1,3-diazinan-2-one has a molecular weight of 458.53 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-1,3-diazinan-2-one is sourced from PubChem (CID 172568603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).