6-[[1-[1-(2-aminoethoxymethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-N-[(4-chlorophenyl)methyl]-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide

C24H30ClN5O5S — CID 176799459

IUPAC6-[[1-[1-(2-aminoethoxymethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-N-[(4-chlorophenyl)methyl]-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
SMILESNCCOCC1(S(=O)(=O)C2(CN3CCc4c(C(=O)NCc5ccc(Cl)cc5)n[nH]c4C3=O)CC2)CC1
InChIInChI=1S/C24H30ClN5O5S/c25-17-3-1-16(2-4-17)13-27-21(31)19-18-5-11-30(22(32)20(18)29-28-19)14-23(6-7-23)36(33,34)24(8-9-24)15-35-12-10-26/h1-4H,5-15,26H2,(H,27,31)(H,28,29)
InChIKeyHMNDOQPOZYJVDQ-UHFFFAOYSA-N
MW536.05 g/mol
LogP1.45
Rot. Bonds11

About 6-[[1-[1-(2-aminoethoxymethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-N-[(4-chlorophenyl)methyl]-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide

6-[[1-[1-(2-aminoethoxymethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-N-[(4-chlorophenyl)methyl]-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 176799459) has the molecular formula C24H30ClN5O5S and a molecular weight of 536.05 g/mol. Its IUPAC name is 6-[[1-[1-(2-aminoethoxymethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-N-[(4-chlorophenyl)methyl]-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[1-[1-(2-aminoethoxymethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-N-[(4-chlorophenyl)methyl]-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID176799459
Molecular FormulaC24H30ClN5O5S
Molecular Weight536.05 g/mol
Exact Mass535.17
IUPAC Name6-[[1-[1-(2-aminoethoxymethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-N-[(4-chlorophenyl)methyl]-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
SMILESNCCOCC1(S(=O)(=O)C2(CN3CCc4c(C(=O)NCc5ccc(Cl)cc5)n[nH]c4C3=O)CC2)CC1
InChIInChI=1S/C24H30ClN5O5S/c25-17-3-1-16(2-4-17)13-27-21(31)19-18-5-11-30(22(32)20(18)29-28-19)14-23(6-7-23)36(33,34)24(8-9-24)15-35-12-10-26/h1-4H,5-15,26H2,(H,27,31)(H,28,29)
InChIKeyHMNDOQPOZYJVDQ-UHFFFAOYSA-N
XLogP1.45
TPSA147.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.05
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[[1-[1-(2-aminoethoxymethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-N-[(4-chlorophenyl)methyl]-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide with MolForge

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Related Compounds

1-(bromomethyl)-1-cyclopropylsulfonylcyclopropane;(4-chlorophenyl)methanamine;N-[(4-chlorophenyl)methyl]-6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-(2-hydroxy-2-methylpropyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;ethyl 6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-(2-hydroxy-2-methylpropyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate;ethyl 1-(2-hydroxy-2-methylpropyl)-7-oxo-5,6-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate
CID 158755021
N-[(4-chlorophenyl)methyl]-6-[[1-(3,4-dihydroxy-2-methylbutan-2-yl)sulfonylcyclopropyl]methyl]-7-oxo-4,5-dihydrothieno[2,3-c]pyridine-3-carboxamide
CID 170975017
4-[2-[1-(bromomethyl)cyclopropyl]sulfonylpropan-2-yl]-2,2-dimethyl-1,3-dioxolane;(4-chlorophenyl)methanamine;N-[(4-chlorophenyl)methyl]-6-[[1-(3,4-dihydroxy-2-methylbutan-2-yl)sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-6-[[1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-2-ylsulfonyl]cyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;ethyl 6-[[1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-2-ylsulfonyl]cyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate;ethyl 1-methyl-7-oxo-5,6-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate
CID 158260850
4-amino-N-[(4-chlorophenyl)methyl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 62082153
4-(aminomethyl)benzonitrile;3-[1-(bromomethyl)cyclopropyl]sulfonyl-3-methyloxetane;N-[(4-cyanophenyl)methyl]-1-methyl-6-[[1-(3-methyloxetan-3-yl)sulfonylcyclopropyl]methyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;ethyl 1-methyl-7-oxo-5,6-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate;1-methyl-6-[[1-(3-methyloxetan-3-yl)sulfonylcyclopropyl]methyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 158893252
tert-butyl 3-[2-[1-[[3-[(4-cyanophenyl)methylcarbamoyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]methyl]cyclopropyl]sulfonyl-2-methylpropyl]azetidine-1-carboxylate
CID 166513952
N-[(4-cyanophenyl)methyl]-6-[[1-[1-(1-fluoropropoxy)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 160520113
4-(aminomethyl)benzonitrile;N-[(4-cyanophenyl)methyl]-6-[[1-(1-hydroxy-3-methoxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[[1-(1-hydroxy-3-methoxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid;methyl 6-[[1-(1-hydroxy-3-methoxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate;hydrochloride
CID 158262825
N-[(4-cyanophenyl)methyl]-6-[[1-[1-(3-fluoroazetidin-1-yl)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;N-[(4-cyanophenyl)methyl]-1-methyl-6-[[1-(2-methyl-1-oxopropan-2-yl)sulfonylcyclopropyl]methyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 159216673
ethyl 1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropane-1-carboxylate
CID 153461526
3-chloro-N-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridazine-5-carboxamide
CID 69217820
N-[(4-chlorophenyl)methyl]-6-(3-hydroxypropyl)-4-oxo-1,5-dihydropyrido[4,3-c]pyridazine-3-carboxamide
CID 70024851

Frequently Asked Questions

What is the IUPAC name of 6-[[1-[1-(2-aminoethoxymethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-N-[(4-chlorophenyl)methyl]-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 6-[[1-[1-(2-aminoethoxymethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-N-[(4-chlorophenyl)methyl]-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide (CID 176799459) is 6-[[1-[1-(2-aminoethoxymethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-N-[(4-chlorophenyl)methyl]-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[1-[1-(2-aminoethoxymethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-N-[(4-chlorophenyl)methyl]-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 6-[[1-[1-(2-aminoethoxymethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-N-[(4-chlorophenyl)methyl]-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide is NCCOCC1(S(=O)(=O)C2(CN3CCc4c(C(=O)NCc5ccc(Cl)cc5)n[nH]c4C3=O)CC2)CC1.
What is the InChIKey of 6-[[1-[1-(2-aminoethoxymethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-N-[(4-chlorophenyl)methyl]-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is HMNDOQPOZYJVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN5O5S/c25-17-3-1-16(2-4-17)13-27-21(31)19-18-5-11-30(22(32)20(18)29-28-19)14-23(6-7-23)36(33,34)24(8-9-24)15-35-12-10-26/h1-4H,5-15,26H2,(H,27,31)(H,28,29).
What are the key properties of 6-[[1-[1-(2-aminoethoxymethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-N-[(4-chlorophenyl)methyl]-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide?
6-[[1-[1-(2-aminoethoxymethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-N-[(4-chlorophenyl)methyl]-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 536.05 g/mol, XLogP of 1.45, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-[1-(2-aminoethoxymethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-N-[(4-chlorophenyl)methyl]-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 176799459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).