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

C26H30N4O5 — CID 135760787

IUPACN-[(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
SMILESCCc1ccc([C@@H]2c3c(C)nn(C)c3NC(=O)[C@H]2NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C26H30N4O5/c1-7-15-8-10-16(11-9-15)21-20-14(2)29-30(3)24(20)28-26(32)22(21)27-25(31)17-12-18(33-4)23(35-6)19(13-17)34-5/h8-13,21-22H,7H2,1-6H3,(H,27,31)(H,28,32)/t21-,22+/m1/s1
InChIKeyXEARYEGMAUWANV-YADHBBJMSA-N
MW478.55 g/mol
LogP3.20
Rot. Bonds7

About 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

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 (PubChem CID 135760787) has the molecular formula C26H30N4O5 and a molecular weight of 478.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID135760787
Molecular FormulaC26H30N4O5
Molecular Weight478.55 g/mol
Exact Mass478.22
IUPAC NameN-[(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
SMILESCCc1ccc([C@@H]2c3c(C)nn(C)c3NC(=O)[C@H]2NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C26H30N4O5/c1-7-15-8-10-16(11-9-15)21-20-14(2)29-30(3)24(20)28-26(32)22(21)27-25(31)17-12-18(33-4)23(35-6)19(13-17)34-5/h8-13,21-22H,7H2,1-6H3,(H,27,31)(H,28,32)/t21-,22+/m1/s1
InChIKeyXEARYEGMAUWANV-YADHBBJMSA-N
XLogP3.20
TPSA103.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-(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-(3,5-dimethoxyphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3,4-dimethoxybenzamide
CID 135558051
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-(3,4-difluorophenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3,4-dimethoxybenzamide
CID 135558221
N-[(4R,5S)-4-(3-chloro-5-ethoxy-4-methoxyphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
CID 135558231
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)-4-(3-methoxyphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
CID 135837059
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
N-[(4S,5R)-4-(4-chlorophenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide
CID 137269164
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1ccc([C@@H]2c3c(C)nn(C)c3NC(=O)[C@H]2NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 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?
The InChIKey is XEARYEGMAUWANV-YADHBBJMSA-N. The full InChI is InChI=1S/C26H30N4O5/c1-7-15-8-10-16(11-9-15)21-20-14(2)29-30(3)24(20)28-26(32)22(21)27-25(31)17-12-18(33-4)23(35-6)19(13-17)34-5/h8-13,21-22H,7H2,1-6H3,(H,27,31)(H,28,32)/t21-,22+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 478.55 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 135760787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).