N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzenesulfonamide

C26H34N4O3S — CID 42871828

IUPACN-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzenesulfonamide
SMILESCCN1CCc2c(c(CN(CC(C)C)S(=O)(=O)c3ccccc3)nn2-c2ccccc2OC)C1
InChIInChI=1S/C26H34N4O3S/c1-5-28-16-15-24-22(18-28)23(27-30(24)25-13-9-10-14-26(25)33-4)19-29(17-20(2)3)34(31,32)21-11-7-6-8-12-21/h6-14,20H,5,15-19H2,1-4H3
InChIKeyXURAPNKCNZKTGO-UHFFFAOYSA-N
MW482.65 g/mol
LogP4.11
Rot. Bonds9

About N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzenesulfonamide

N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 42871828) has the molecular formula C26H34N4O3S and a molecular weight of 482.65 g/mol. Its IUPAC name is N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzenesulfonamide
PubChem CID42871828
Molecular FormulaC26H34N4O3S
Molecular Weight482.65 g/mol
Exact Mass482.24
IUPAC NameN-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzenesulfonamide
SMILESCCN1CCc2c(c(CN(CC(C)C)S(=O)(=O)c3ccccc3)nn2-c2ccccc2OC)C1
InChIInChI=1S/C26H34N4O3S/c1-5-28-16-15-24-22(18-28)23(27-30(24)25-13-9-10-14-26(25)33-4)19-29(17-20(2)3)34(31,32)21-11-7-6-8-12-21/h6-14,20H,5,15-19H2,1-4H3
InChIKeyXURAPNKCNZKTGO-UHFFFAOYSA-N
XLogP4.11
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.65
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzenesulfonamide with MolForge

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Related Compounds

(2S)-N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)-2-phenylbutanamide
CID 93002198
1-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl-methylamino]-3-methylbutan-2-ol
CID 42806508
3-chloro-N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzamide
CID 42871624
N-[[5-benzyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 42872664
2-methoxy-N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzamide
CID 42871636
N-[[1-(2-methoxyphenyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 42871576
N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide
CID 42871635
N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 42808654
N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide
CID 46074332
N-cyclopropyl-N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]acetamide
CID 42872622
N-[[5-[(4-fluorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)methanesulfonamide
CID 42872679
N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-N-(2-methylpropyl)cyclopropanecarboxamide
CID 46074337

Frequently Asked Questions

What is the IUPAC name of N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzenesulfonamide (CID 42871828) is N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzenesulfonamide is CCN1CCc2c(c(CN(CC(C)C)S(=O)(=O)c3ccccc3)nn2-c2ccccc2OC)C1.
What is the InChIKey of N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is XURAPNKCNZKTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3S/c1-5-28-16-15-24-22(18-28)23(27-30(24)25-13-9-10-14-26(25)33-4)19-29(17-20(2)3)34(31,32)21-11-7-6-8-12-21/h6-14,20H,5,15-19H2,1-4H3.
What are the key properties of N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzenesulfonamide?
N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 482.65 g/mol, XLogP of 4.11, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 42871828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).