N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-4-[(dimethylamino)methyl]benzenesulfonamide

C25H28N6O2S — CID 24857302

IUPACN-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-4-[(dimethylamino)methyl]benzenesulfonamide
SMILESCN(C)Cc1ccc(S(=O)(=O)Nc2ccc(-c3cc(C4CC4)nc4c3c(N)nn4C)cc2)cc1
InChIInChI=1S/C25H28N6O2S/c1-30(2)15-16-4-12-20(13-5-16)34(32,33)29-19-10-8-17(9-11-19)21-14-22(18-6-7-18)27-25-23(21)24(26)28-31(25)3/h4-5,8-14,18,29H,6-7,15H2,1-3H3,(H2,26,28)
InChIKeyGRSOMTBNIRSRDQ-UHFFFAOYSA-N
MW476.61 g/mol
LogP3.96
Rot. Bonds7

About N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-4-[(dimethylamino)methyl]benzenesulfonamide

N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-4-[(dimethylamino)methyl]benzenesulfonamide (PubChem CID 24857302) has the molecular formula C25H28N6O2S and a molecular weight of 476.61 g/mol. Its IUPAC name is N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-4-[(dimethylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-4-[(dimethylamino)methyl]benzenesulfonamide
PubChem CID24857302
Molecular FormulaC25H28N6O2S
Molecular Weight476.61 g/mol
Exact Mass476.20
IUPAC NameN-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-4-[(dimethylamino)methyl]benzenesulfonamide
SMILESCN(C)Cc1ccc(S(=O)(=O)Nc2ccc(-c3cc(C4CC4)nc4c3c(N)nn4C)cc2)cc1
InChIInChI=1S/C25H28N6O2S/c1-30(2)15-16-4-12-20(13-5-16)34(32,33)29-19-10-8-17(9-11-19)21-14-22(18-6-7-18)27-25-23(21)24(26)28-31(25)3/h4-5,8-14,18,29H,6-7,15H2,1-3H3,(H2,26,28)
InChIKeyGRSOMTBNIRSRDQ-UHFFFAOYSA-N
XLogP3.96
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.61
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-4-[(dimethylamino)methyl]benzenesulfonamide?
The IUPAC name of N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-4-[(dimethylamino)methyl]benzenesulfonamide (CID 24857302) is N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-4-[(dimethylamino)methyl]benzenesulfonamide.
What is the SMILES notation for N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-4-[(dimethylamino)methyl]benzenesulfonamide?
The canonical SMILES for N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-4-[(dimethylamino)methyl]benzenesulfonamide is CN(C)Cc1ccc(S(=O)(=O)Nc2ccc(-c3cc(C4CC4)nc4c3c(N)nn4C)cc2)cc1.
What is the InChIKey of N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-4-[(dimethylamino)methyl]benzenesulfonamide?
The InChIKey is GRSOMTBNIRSRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2S/c1-30(2)15-16-4-12-20(13-5-16)34(32,33)29-19-10-8-17(9-11-19)21-14-22(18-6-7-18)27-25-23(21)24(26)28-31(25)3/h4-5,8-14,18,29H,6-7,15H2,1-3H3,(H2,26,28).
What are the key properties of N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-4-[(dimethylamino)methyl]benzenesulfonamide?
N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-4-[(dimethylamino)methyl]benzenesulfonamide has a molecular weight of 476.61 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-4-[(dimethylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 24857302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).