4-[2-[[(1S)-2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide

C27H26N6O3S — CID 139422800

IUPAC4-[2-[[(1S)-2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide
SMILESCn1cc(-c2ccc3c(C(=O)[C@@H](NCCc4ccc(S(N)(=O)=O)cc4)c4ccccc4)cnn3c2)cn1
InChIInChI=1S/C27H26N6O3S/c1-32-17-22(15-30-32)21-9-12-25-24(16-31-33(25)18-21)27(34)26(20-5-3-2-4-6-20)29-14-13-19-7-10-23(11-8-19)37(28,35)36/h2-12,15-18,26,29H,13-14H2,1H3,(H2,28,35,36)/t26-/m0/s1
InChIKeyRIEJRXHPNFTDTB-SANMLTNESA-N
MW514.61 g/mol
LogP3.14
Rot. Bonds9

About 4-[2-[[(1S)-2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide

4-[2-[[(1S)-2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide (PubChem CID 139422800) has the molecular formula C27H26N6O3S and a molecular weight of 514.61 g/mol. Its IUPAC name is 4-[2-[[(1S)-2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[(1S)-2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide
PubChem CID139422800
Molecular FormulaC27H26N6O3S
Molecular Weight514.61 g/mol
Exact Mass514.18
IUPAC Name4-[2-[[(1S)-2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide
SMILESCn1cc(-c2ccc3c(C(=O)[C@@H](NCCc4ccc(S(N)(=O)=O)cc4)c4ccccc4)cnn3c2)cn1
InChIInChI=1S/C27H26N6O3S/c1-32-17-22(15-30-32)21-9-12-25-24(16-31-33(25)18-21)27(34)26(20-5-3-2-4-6-20)29-14-13-19-7-10-23(11-8-19)37(28,35)36/h2-12,15-18,26,29H,13-14H2,1H3,(H2,28,35,36)/t26-/m0/s1
InChIKeyRIEJRXHPNFTDTB-SANMLTNESA-N
XLogP3.14
TPSA124.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.61
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[2-[[(1S)-2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide with MolForge

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Related Compounds

[(4aR)-1-(4-fluorophenyl)-6-(4-methylphenyl)sulfonyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-pyridin-2-ylmethanone
CID 72549624
1-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]-N-(1-phenylethyl)methanesulfonamide
CID 25013523
1-[3-(1-Methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]-N-phenylmethanesulfonamide
CID 57541255
1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278436
[(4aR)-1-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)sulfonyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-pyridin-2-ylmethanone
CID 72549381
N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 130431497
N-[[4-[[(3-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 130431517
4-[2-[[(1R)-2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzonitrile
CID 156020187
US20230278983, Code AB1281
CID 162435316
US20230278983, Code AB1135
CID 162435735
4-[[(3S,4S)-4-ethyl-1-methylsulfonylpyrrolidin-3-yl]amino]-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 91937378
5-Methyl-9-(4-methylphenyl)sulfonyl-4,5,9,14-tetrazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,8(15),10-pentaen-7-one
CID 11581698

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(1S)-2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[(1S)-2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide (CID 139422800) is 4-[2-[[(1S)-2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[(1S)-2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[(1S)-2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide is Cn1cc(-c2ccc3c(C(=O)[C@@H](NCCc4ccc(S(N)(=O)=O)cc4)c4ccccc4)cnn3c2)cn1.
What is the InChIKey of 4-[2-[[(1S)-2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide?
The InChIKey is RIEJRXHPNFTDTB-SANMLTNESA-N. The full InChI is InChI=1S/C27H26N6O3S/c1-32-17-22(15-30-32)21-9-12-25-24(16-31-33(25)18-21)27(34)26(20-5-3-2-4-6-20)29-14-13-19-7-10-23(11-8-19)37(28,35)36/h2-12,15-18,26,29H,13-14H2,1H3,(H2,28,35,36)/t26-/m0/s1.
What are the key properties of 4-[2-[[(1S)-2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide?
4-[2-[[(1S)-2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide has a molecular weight of 514.61 g/mol, XLogP of 3.14, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(1S)-2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 139422800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).