N-[(4R,5S)-4-(3,5-dimethoxyphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3,4-dimethoxybenzamide

C25H28N4O6 — CID 135558051

IUPACN-[(4R,5S)-4-(3,5-dimethoxyphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3,4-dimethoxybenzamide
SMILESCOc1cc(OC)cc([C@@H]2c3c(C)nn(C)c3NC(=O)[C@H]2NC(=O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C25H28N4O6/c1-13-20-21(15-9-16(32-3)12-17(10-15)33-4)22(25(31)27-23(20)29(2)28-13)26-24(30)14-7-8-18(34-5)19(11-14)35-6/h7-12,21-22H,1-6H3,(H,26,30)(H,27,31)/t21-,22+/m1/s1
InChIKeyFROQGOOVSIXMOY-YADHBBJMSA-N
MW480.52 g/mol
LogP2.65
Rot. Bonds7

About N-[(4R,5S)-4-(3,5-dimethoxyphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3,4-dimethoxybenzamide

N-[(4R,5S)-4-(3,5-dimethoxyphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3,4-dimethoxybenzamide (PubChem CID 135558051) has the molecular formula C25H28N4O6 and a molecular weight of 480.52 g/mol. Its IUPAC name is N-[(4R,5S)-4-(3,5-dimethoxyphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(4R,5S)-4-(3,5-dimethoxyphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3,4-dimethoxybenzamide
PubChem CID135558051
Molecular FormulaC25H28N4O6
Molecular Weight480.52 g/mol
Exact Mass480.20
IUPAC NameN-[(4R,5S)-4-(3,5-dimethoxyphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3,4-dimethoxybenzamide
SMILESCOc1cc(OC)cc([C@@H]2c3c(C)nn(C)c3NC(=O)[C@H]2NC(=O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C25H28N4O6/c1-13-20-21(15-9-16(32-3)12-17(10-15)33-4)22(25(31)27-23(20)29(2)28-13)26-24(30)14-7-8-18(34-5)19(11-14)35-6/h7-12,21-22H,1-6H3,(H,26,30)(H,27,31)/t21-,22+/m1/s1
InChIKeyFROQGOOVSIXMOY-YADHBBJMSA-N
XLogP2.65
TPSA112.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(4R,5S)-4-(3,4-dichlorophenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3,4-dimethoxybenzamide
CID 135558191
N-[(4R,5S)-4-(3,4-difluorophenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3,4-dimethoxybenzamide
CID 135558221
N-[(4R,5R)-4-(3-methoxyphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide
CID 137084750
N-[(4R,5S)-4-(3-methoxyphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
CID 135837059
N-[(4S,5S)-4-(4-ethoxy-3-methoxyphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide
CID 137084704
N-[(4R,5S)-4-(3-methoxy-4-propoxyphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
CID 135558067
N-[(4R,5S)-4-(4-ethylphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3,4,5-trimethoxybenzamide
CID 135760787
N-[(4R,5R)-4-(3,5-dimethoxyphenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
CID 135926738
3,4-dimethoxy-N-[(4S,5R)-4-(3-methoxyphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide;N-[(4S,5R)-4-(4-ethoxyphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide;N-[(4S,5R)-4-(3-fluoro-4-methoxyphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3,4-dimethoxybenzamide;N-[(4S,5R)-4-(3-methoxy-4-propoxyphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide
CID 160580107
N-[(4R,5S)-4-(3-chloro-4-ethoxy-5-methoxyphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide
CID 135558096
N-[(4S,5S)-1,3-dimethyl-6-oxo-4-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
CID 135689509
N-[(4R,5S)-1,3-dimethyl-6-oxo-4-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide
CID 135558219

Frequently Asked Questions

What is the IUPAC name of N-[(4R,5S)-4-(3,5-dimethoxyphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[(4R,5S)-4-(3,5-dimethoxyphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3,4-dimethoxybenzamide (CID 135558051) is N-[(4R,5S)-4-(3,5-dimethoxyphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[(4R,5S)-4-(3,5-dimethoxyphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[(4R,5S)-4-(3,5-dimethoxyphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3,4-dimethoxybenzamide is COc1cc(OC)cc([C@@H]2c3c(C)nn(C)c3NC(=O)[C@H]2NC(=O)c2ccc(OC)c(OC)c2)c1.
What is the InChIKey of N-[(4R,5S)-4-(3,5-dimethoxyphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3,4-dimethoxybenzamide?
The InChIKey is FROQGOOVSIXMOY-YADHBBJMSA-N. The full InChI is InChI=1S/C25H28N4O6/c1-13-20-21(15-9-16(32-3)12-17(10-15)33-4)22(25(31)27-23(20)29(2)28-13)26-24(30)14-7-8-18(34-5)19(11-14)35-6/h7-12,21-22H,1-6H3,(H,26,30)(H,27,31)/t21-,22+/m1/s1.
What are the key properties of N-[(4R,5S)-4-(3,5-dimethoxyphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3,4-dimethoxybenzamide?
N-[(4R,5S)-4-(3,5-dimethoxyphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3,4-dimethoxybenzamide has a molecular weight of 480.52 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R,5S)-4-(3,5-dimethoxyphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 135558051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).