3-[(4-methoxyphenyl)methyl]-1-methyl-4-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]imidazol-2-one

C23H20N6O2 — CID 67054757

IUPAC3-[(4-methoxyphenyl)methyl]-1-methyl-4-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]imidazol-2-one
SMILESCOc1ccc(Cn2c(-c3cc(-c4cnc5[nH]ncc5c4)ccn3)cn(C)c2=O)cc1
InChIInChI=1S/C23H20N6O2/c1-28-14-21(29(23(28)30)13-15-3-5-19(31-2)6-4-15)20-10-16(7-8-24-20)17-9-18-12-26-27-22(18)25-11-17/h3-12,14H,13H2,1-2H3,(H,25,26,27)
InChIKeyORGXPRKAGGZRAI-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.24
Rot. Bonds5

About 3-[(4-methoxyphenyl)methyl]-1-methyl-4-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]imidazol-2-one

3-[(4-methoxyphenyl)methyl]-1-methyl-4-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]imidazol-2-one (PubChem CID 67054757) has the molecular formula C23H20N6O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-1-methyl-4-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]imidazol-2-one.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-1-methyl-4-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]imidazol-2-one
PubChem CID67054757
Molecular FormulaC23H20N6O2
Molecular Weight412.45 g/mol
Exact Mass412.16
IUPAC Name3-[(4-methoxyphenyl)methyl]-1-methyl-4-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]imidazol-2-one
SMILESCOc1ccc(Cn2c(-c3cc(-c4cnc5[nH]ncc5c4)ccn3)cn(C)c2=O)cc1
InChIInChI=1S/C23H20N6O2/c1-28-14-21(29(23(28)30)13-15-3-5-19(31-2)6-4-15)20-10-16(7-8-24-20)17-9-18-12-26-27-22(18)25-11-17/h3-12,14H,13H2,1-2H3,(H,25,26,27)
InChIKeyORGXPRKAGGZRAI-UHFFFAOYSA-N
XLogP3.24
TPSA90.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]imidazol-2-one
CID 51035923
4-[(4-methoxyphenyl)methyl]-3-pyridin-4-yl-1H-1,2,4-triazol-5-one
CID 50980637
5-(3-chloro-4-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridine
CID 170685631
(2S)-1-[[4-[3-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-ol;(2S)-1-[[4-[1-propan-2-yl-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-ol
CID 160791403
3-[(4-methoxyphenyl)methyl]-1-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
CID 155551609
2-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
CID 121460620
3-benzyl-5-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 11646232
4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-6-(1H-pyrazol-5-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one
CID 155181078
3-bromo-5-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-d]pyridazin-4-one
CID 165392556
1-methyl-4-[4-(6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-3-(3-phenoxyphenyl)imidazol-2-one
CID 158933491
4-(4-methylpiperazin-1-yl)-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline
CID 59860128
2-[4-[3-methyl-2-oxo-5-[4-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]imidazol-1-yl]phenyl]butanenitrile
CID 123622101

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-1-methyl-4-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]imidazol-2-one?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-1-methyl-4-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]imidazol-2-one (CID 67054757) is 3-[(4-methoxyphenyl)methyl]-1-methyl-4-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]imidazol-2-one.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-1-methyl-4-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]imidazol-2-one?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-1-methyl-4-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]imidazol-2-one is COc1ccc(Cn2c(-c3cc(-c4cnc5[nH]ncc5c4)ccn3)cn(C)c2=O)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-1-methyl-4-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]imidazol-2-one?
The InChIKey is ORGXPRKAGGZRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2/c1-28-14-21(29(23(28)30)13-15-3-5-19(31-2)6-4-15)20-10-16(7-8-24-20)17-9-18-12-26-27-22(18)25-11-17/h3-12,14H,13H2,1-2H3,(H,25,26,27).
What are the key properties of 3-[(4-methoxyphenyl)methyl]-1-methyl-4-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]imidazol-2-one?
3-[(4-methoxyphenyl)methyl]-1-methyl-4-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]imidazol-2-one has a molecular weight of 412.45 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-1-methyl-4-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]imidazol-2-one is sourced from PubChem (CID 67054757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).