N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide

C23H28N8O2S — CID 24816001

IUPACN,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(Nc2cc(C3CCCNC3)nc3c(-c4cnn(C)c4)cnn23)c1
InChIInChI=1S/C23H28N8O2S/c1-29(2)34(32,33)19-8-4-7-18(10-19)27-22-11-21(16-6-5-9-24-12-16)28-23-20(14-26-31(22)23)17-13-25-30(3)15-17/h4,7-8,10-11,13-16,24,27H,5-6,9,12H2,1-3H3
InChIKeyLZZLBIOIMNIZSF-UHFFFAOYSA-N
MW480.60 g/mol
LogP2.59
Rot. Bonds6

About N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide

N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide (PubChem CID 24816001) has the molecular formula C23H28N8O2S and a molecular weight of 480.60 g/mol. Its IUPAC name is N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide
PubChem CID24816001
Molecular FormulaC23H28N8O2S
Molecular Weight480.60 g/mol
Exact Mass480.21
IUPAC NameN,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(Nc2cc(C3CCCNC3)nc3c(-c4cnn(C)c4)cnn23)c1
InChIInChI=1S/C23H28N8O2S/c1-29(2)34(32,33)19-8-4-7-18(10-19)27-22-11-21(16-6-5-9-24-12-16)28-23-20(14-26-31(22)23)17-13-25-30(3)15-17/h4,7-8,10-11,13-16,24,27H,5-6,9,12H2,1-3H3
InChIKeyLZZLBIOIMNIZSF-UHFFFAOYSA-N
XLogP2.59
TPSA109.45 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.60
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide (CID 24816001) is N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide is CN(C)S(=O)(=O)c1cccc(Nc2cc(C3CCCNC3)nc3c(-c4cnn(C)c4)cnn23)c1.
What is the InChIKey of N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide?
The InChIKey is LZZLBIOIMNIZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O2S/c1-29(2)34(32,33)19-8-4-7-18(10-19)27-22-11-21(16-6-5-9-24-12-16)28-23-20(14-26-31(22)23)17-13-25-30(3)15-17/h4,7-8,10-11,13-16,24,27H,5-6,9,12H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide?
N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide has a molecular weight of 480.60 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide is sourced from PubChem (CID 24816001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).