N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide

C30H38N6O6 — CID 54756341

IUPACN-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide
SMILESCOc1ccc(N2CCc3c(NC(=O)CCN4CCN(Cc5ccc(OC)c(OC)c5OC)CC4)n[nH]c3C2=O)cc1
InChIInChI=1S/C30H38N6O6/c1-39-22-8-6-21(7-9-22)36-14-11-23-26(30(36)38)32-33-29(23)31-25(37)12-13-34-15-17-35(18-16-34)19-20-5-10-24(40-2)28(42-4)27(20)41-3/h5-10H,11-19H2,1-4H3,(H2,31,32,33,37)
InChIKeyDREXLIBGHHRCMI-UHFFFAOYSA-N
MW578.67 g/mol
LogP2.79
Rot. Bonds11

About N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide

N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide (PubChem CID 54756341) has the molecular formula C30H38N6O6 and a molecular weight of 578.67 g/mol. Its IUPAC name is N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide
PubChem CID54756341
Molecular FormulaC30H38N6O6
Molecular Weight578.67 g/mol
Exact Mass578.29
IUPAC NameN-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide
SMILESCOc1ccc(N2CCc3c(NC(=O)CCN4CCN(Cc5ccc(OC)c(OC)c5OC)CC4)n[nH]c3C2=O)cc1
InChIInChI=1S/C30H38N6O6/c1-39-22-8-6-21(7-9-22)36-14-11-23-26(30(36)38)32-33-29(23)31-25(37)12-13-34-15-17-35(18-16-34)19-20-5-10-24(40-2)28(42-4)27(20)41-3/h5-10H,11-19H2,1-4H3,(H2,31,32,33,37)
InChIKeyDREXLIBGHHRCMI-UHFFFAOYSA-N
XLogP2.79
TPSA121.49 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.67
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide with MolForge

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Related Compounds

3-chloro-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]propanamide
CID 142710470
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]acetamide
CID 54755987
N-(4-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 24745617
N-(2,5-dimethoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109033777
1-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 51073742
N-(2-bromophenyl)-3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 60501821
1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(4-methoxyphenyl)piperazine
CID 1376801
N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 59174000
5-(azepan-1-yl)-N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]pentanamide
CID 24998042
N-(2-methoxy-5-methylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109033774
N-(4-fluorophenyl)-4-methoxy-N-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 42858501
(4-fluorophenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1131721

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide?
The IUPAC name of N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide (CID 54756341) is N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide is COc1ccc(N2CCc3c(NC(=O)CCN4CCN(Cc5ccc(OC)c(OC)c5OC)CC4)n[nH]c3C2=O)cc1.
What is the InChIKey of N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide?
The InChIKey is DREXLIBGHHRCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N6O6/c1-39-22-8-6-21(7-9-22)36-14-11-23-26(30(36)38)32-33-29(23)31-25(37)12-13-34-15-17-35(18-16-34)19-20-5-10-24(40-2)28(42-4)27(20)41-3/h5-10H,11-19H2,1-4H3,(H2,31,32,33,37).
What are the key properties of N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide?
N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide has a molecular weight of 578.67 g/mol, XLogP of 2.79, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 54756341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).