N-[2-[[[6-(2-ethyl-4-hydroxyphenyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]-3-methylphenyl]-N-methylmethanesulfonamide

C24H27N5O3S — CID 136947887

IUPACN-[2-[[[6-(2-ethyl-4-hydroxyphenyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]-3-methylphenyl]-N-methylmethanesulfonamide
SMILESCCc1cc(O)ccc1-c1cc2[nH]ncc2c(NCc2c(C)cccc2N(C)S(C)(=O)=O)n1
InChIInChI=1S/C24H27N5O3S/c1-5-16-11-17(30)9-10-18(16)21-12-22-20(14-26-28-22)24(27-21)25-13-19-15(2)7-6-8-23(19)29(3)33(4,31)32/h6-12,14,30H,5,13H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyPRTNMIOJOGYKDQ-UHFFFAOYSA-N
MW465.58 g/mol
LogP4.21
Rot. Bonds7

About N-[2-[[[6-(2-ethyl-4-hydroxyphenyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]-3-methylphenyl]-N-methylmethanesulfonamide

N-[2-[[[6-(2-ethyl-4-hydroxyphenyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]-3-methylphenyl]-N-methylmethanesulfonamide (PubChem CID 136947887) has the molecular formula C24H27N5O3S and a molecular weight of 465.58 g/mol. Its IUPAC name is N-[2-[[[6-(2-ethyl-4-hydroxyphenyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]-3-methylphenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[[[6-(2-ethyl-4-hydroxyphenyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]-3-methylphenyl]-N-methylmethanesulfonamide
PubChem CID136947887
Molecular FormulaC24H27N5O3S
Molecular Weight465.58 g/mol
Exact Mass465.18
IUPAC NameN-[2-[[[6-(2-ethyl-4-hydroxyphenyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]-3-methylphenyl]-N-methylmethanesulfonamide
SMILESCCc1cc(O)ccc1-c1cc2[nH]ncc2c(NCc2c(C)cccc2N(C)S(C)(=O)=O)n1
InChIInChI=1S/C24H27N5O3S/c1-5-16-11-17(30)9-10-18(16)21-12-22-20(14-26-28-22)24(27-21)25-13-19-15(2)7-6-8-23(19)29(3)33(4,31)32/h6-12,14,30H,5,13H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyPRTNMIOJOGYKDQ-UHFFFAOYSA-N
XLogP4.21
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-[[[6-(2-ethyl-4-hydroxyphenyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]-3-methylphenyl]-N-methylmethanesulfonamide with MolForge

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Related Compounds

4-(2-amino-4-ethyl-5-(1H-indazol-5-yl)-3-pyridyl)phenol
CID 122531786
4-[6-amino-4-ethyl-5-(1H-indazol-5-yl)-3-pyridyl]phenol
CID 122531747
4-[2-amino-4-ethyl-5-(1H-indazol-6-yl)-3-pyridinyl]phenol
CID 122531784
N-[4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methanesulfonamide
CID 164627876
US10022376, Example 131
CID 136215098
US10022376, Example 137
CID 136215116
US10022376, Example 138
CID 136215117
US10022376, Example 135
CID 136215120
US10022376, Example 145
CID 136215121
US10022376, Example 146
CID 136215128
US10022376, Example 19
CID 136215132
US10022376, Example 134
CID 136215133

Frequently Asked Questions

What is the IUPAC name of N-[2-[[[6-(2-ethyl-4-hydroxyphenyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]-3-methylphenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[[[6-(2-ethyl-4-hydroxyphenyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]-3-methylphenyl]-N-methylmethanesulfonamide (CID 136947887) is N-[2-[[[6-(2-ethyl-4-hydroxyphenyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]-3-methylphenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[[[6-(2-ethyl-4-hydroxyphenyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]-3-methylphenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[[[6-(2-ethyl-4-hydroxyphenyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]-3-methylphenyl]-N-methylmethanesulfonamide is CCc1cc(O)ccc1-c1cc2[nH]ncc2c(NCc2c(C)cccc2N(C)S(C)(=O)=O)n1.
What is the InChIKey of N-[2-[[[6-(2-ethyl-4-hydroxyphenyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]-3-methylphenyl]-N-methylmethanesulfonamide?
The InChIKey is PRTNMIOJOGYKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3S/c1-5-16-11-17(30)9-10-18(16)21-12-22-20(14-26-28-22)24(27-21)25-13-19-15(2)7-6-8-23(19)29(3)33(4,31)32/h6-12,14,30H,5,13H2,1-4H3,(H,25,27)(H,26,28).
What are the key properties of N-[2-[[[6-(2-ethyl-4-hydroxyphenyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]-3-methylphenyl]-N-methylmethanesulfonamide?
N-[2-[[[6-(2-ethyl-4-hydroxyphenyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]-3-methylphenyl]-N-methylmethanesulfonamide has a molecular weight of 465.58 g/mol, XLogP of 4.21, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[6-(2-ethyl-4-hydroxyphenyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]-3-methylphenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 136947887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).