4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)-N-(2-morpholin-4-ylethyl)-N-phenylbenzenesulfonamide

C30H37N5O5S — CID 59868473

IUPAC4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)-N-(2-morpholin-4-ylethyl)-N-phenylbenzenesulfonamide
SMILESCCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCN4CCOCC4)c4ccccc4)ccc3OCC)cc12
InChIInChI=1S/C30H37N5O5S/c1-4-9-26-25-21-27(31-30(36)29(25)33(3)32-26)24-20-23(12-13-28(24)40-5-2)41(37,38)35(22-10-7-6-8-11-22)15-14-34-16-18-39-19-17-34/h6-8,10-13,20-21H,4-5,9,14-19H2,1-3H3,(H,31,36)
InChIKeyLRADEEBRVOVSFI-UHFFFAOYSA-N
MW579.72 g/mol
LogP3.81
Rot. Bonds11

About 4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)-N-(2-morpholin-4-ylethyl)-N-phenylbenzenesulfonamide

4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)-N-(2-morpholin-4-ylethyl)-N-phenylbenzenesulfonamide (PubChem CID 59868473) has the molecular formula C30H37N5O5S and a molecular weight of 579.72 g/mol. Its IUPAC name is 4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)-N-(2-morpholin-4-ylethyl)-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)-N-(2-morpholin-4-ylethyl)-N-phenylbenzenesulfonamide
PubChem CID59868473
Molecular FormulaC30H37N5O5S
Molecular Weight579.72 g/mol
Exact Mass579.25
IUPAC Name4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)-N-(2-morpholin-4-ylethyl)-N-phenylbenzenesulfonamide
SMILESCCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCN4CCOCC4)c4ccccc4)ccc3OCC)cc12
InChIInChI=1S/C30H37N5O5S/c1-4-9-26-25-21-27(31-30(36)29(25)33(3)32-26)24-20-23(12-13-28(24)40-5-2)41(37,38)35(22-10-7-6-8-11-22)15-14-34-16-18-39-19-17-34/h6-8,10-13,20-21H,4-5,9,14-19H2,1-3H3,(H,31,36)
InChIKeyLRADEEBRVOVSFI-UHFFFAOYSA-N
XLogP3.81
TPSA109.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.72
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-ethoxy-N-methyl-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide
CID 59868502
4-ethoxy-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide
CID 59868488
N,N-bis(3-hydroxypropyl)-4-methoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide
CID 59868472
3-[ethyl-[3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)-4-propoxyphenyl]sulfonylamino]propyl acetate
CID 59868518
N-(2-morpholin-4-ylethyl)-1,3-dioxo-N-phenylisoindole-5-sulfonamide
CID 56586657
N-[2-(diethylamino)ethyl]-4-ethoxy-3-(5-ethyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)-N-phenylbenzenesulfonamide
CID 135708028
N-(furan-2-ylmethyl)-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-N-(2-morpholin-4-ylethyl)-4-propoxybenzenesulfonamide
CID 135771974
N-[2-(2-hydroxyethoxy)ethyl]-N-(3-hydroxypropyl)-4-methoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide
CID 59868474
N-benzyl-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-N-(2-piperidin-1-ylethyl)-4-propoxybenzenesulfonamide
CID 135771989
4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-N-phenylbenzenesulfonamide
CID 135444494
5-(2-ethoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135565522
5-[2-ethoxy-5-[4-(2-hydroxyphenyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 136969619

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)-N-(2-morpholin-4-ylethyl)-N-phenylbenzenesulfonamide?
The IUPAC name of 4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)-N-(2-morpholin-4-ylethyl)-N-phenylbenzenesulfonamide (CID 59868473) is 4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)-N-(2-morpholin-4-ylethyl)-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)-N-(2-morpholin-4-ylethyl)-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)-N-(2-morpholin-4-ylethyl)-N-phenylbenzenesulfonamide is CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCN4CCOCC4)c4ccccc4)ccc3OCC)cc12.
What is the InChIKey of 4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)-N-(2-morpholin-4-ylethyl)-N-phenylbenzenesulfonamide?
The InChIKey is LRADEEBRVOVSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5O5S/c1-4-9-26-25-21-27(31-30(36)29(25)33(3)32-26)24-20-23(12-13-28(24)40-5-2)41(37,38)35(22-10-7-6-8-11-22)15-14-34-16-18-39-19-17-34/h6-8,10-13,20-21H,4-5,9,14-19H2,1-3H3,(H,31,36).
What are the key properties of 4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)-N-(2-morpholin-4-ylethyl)-N-phenylbenzenesulfonamide?
4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)-N-(2-morpholin-4-ylethyl)-N-phenylbenzenesulfonamide has a molecular weight of 579.72 g/mol, XLogP of 3.81, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)-N-(2-morpholin-4-ylethyl)-N-phenylbenzenesulfonamide is sourced from PubChem (CID 59868473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).