N,N-bis(3-hydroxypropyl)-4-methoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide

C23H32N4O6S — CID 59868472

IUPACN,N-bis(3-hydroxypropyl)-4-methoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide
SMILESCCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCCO)CCCO)ccc3OC)cc12
InChIInChI=1S/C23H32N4O6S/c1-4-7-19-18-15-20(24-23(30)22(18)26(2)25-19)17-14-16(8-9-21(17)33-3)34(31,32)27(10-5-12-28)11-6-13-29/h8-9,14-15,28-29H,4-7,10-13H2,1-3H3,(H,24,30)
InChIKeyGHGQEEGDUUMXNN-UHFFFAOYSA-N
MW492.60 g/mol
LogP1.65
Rot. Bonds12

About N,N-bis(3-hydroxypropyl)-4-methoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide

N,N-bis(3-hydroxypropyl)-4-methoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide (PubChem CID 59868472) has the molecular formula C23H32N4O6S and a molecular weight of 492.60 g/mol. Its IUPAC name is N,N-bis(3-hydroxypropyl)-4-methoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-bis(3-hydroxypropyl)-4-methoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide
PubChem CID59868472
Molecular FormulaC23H32N4O6S
Molecular Weight492.60 g/mol
Exact Mass492.20
IUPAC NameN,N-bis(3-hydroxypropyl)-4-methoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide
SMILESCCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCCO)CCCO)ccc3OC)cc12
InChIInChI=1S/C23H32N4O6S/c1-4-7-19-18-15-20(24-23(30)22(18)26(2)25-19)17-14-16(8-9-21(17)33-3)34(31,32)27(10-5-12-28)11-6-13-29/h8-9,14-15,28-29H,4-7,10-13H2,1-3H3,(H,24,30)
InChIKeyGHGQEEGDUUMXNN-UHFFFAOYSA-N
XLogP1.65
TPSA137.75 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

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
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
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,N-bis(2-hydroxyethyl)-4-methoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)benzenesulfonamide
CID 135798117
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
N,N-bis(3-hydroxypropyl)-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-4-propoxybenzenesulfonamide
CID 135798109
3-[3-hydroxypropyl-[3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-4-propoxyphenyl]sulfonylamino]propyl acetate
CID 135513456
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
2-[2-acetyloxyethyl-[3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-4-propoxyphenyl]sulfonylamino]ethyl acetate;N,N-bis(2-hydroxyethyl)-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-4-propoxybenzenesulfonamide
CID 161415886
2-[ethyl-[3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-4-propoxyphenyl]sulfonylamino]ethyl acetate
CID 135771998
N-[2-(diethylamino)ethyl]-4-ethoxy-N-[2-(2-methoxyethylamino)ethyl]-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)benzenesulfonamide
CID 135798080
5-[5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-2-methoxyphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,5-d]pyrimidine-7-thione
CID 10185702

Frequently Asked Questions

What is the IUPAC name of N,N-bis(3-hydroxypropyl)-4-methoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide?
The IUPAC name of 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) is N,N-bis(3-hydroxypropyl)-4-methoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide.
What is the SMILES notation for N,N-bis(3-hydroxypropyl)-4-methoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide?
The canonical SMILES for N,N-bis(3-hydroxypropyl)-4-methoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide is CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCCO)CCCO)ccc3OC)cc12.
What is the InChIKey of N,N-bis(3-hydroxypropyl)-4-methoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide?
The InChIKey is GHGQEEGDUUMXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O6S/c1-4-7-19-18-15-20(24-23(30)22(18)26(2)25-19)17-14-16(8-9-21(17)33-3)34(31,32)27(10-5-12-28)11-6-13-29/h8-9,14-15,28-29H,4-7,10-13H2,1-3H3,(H,24,30).
What are the key properties of N,N-bis(3-hydroxypropyl)-4-methoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide?
N,N-bis(3-hydroxypropyl)-4-methoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide has a molecular weight of 492.60 g/mol, XLogP of 1.65, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-hydroxypropyl)-4-methoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide is sourced from PubChem (CID 59868472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).