N-[1-(2,2-dimethylpropanoyl)-2,3-dihydroindol-5-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

C26H26N4O2S — CID 66819696

IUPACN-[1-(2,2-dimethylpropanoyl)-2,3-dihydroindol-5-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc4c(c3)CCN4C(=O)C(C)(C)C)cc12
InChIInChI=1S/C26H26N4O2S/c1-16-20-15-22(33-24(20)30(28-16)19-8-6-5-7-9-19)23(31)27-18-10-11-21-17(14-18)12-13-29(21)25(32)26(2,3)4/h5-11,14-15H,12-13H2,1-4H3,(H,27,31)
InChIKeyWYHWEYHCSILBDH-UHFFFAOYSA-N
MW458.59 g/mol
LogP5.58
Rot. Bonds3

About N-[1-(2,2-dimethylpropanoyl)-2,3-dihydroindol-5-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

N-[1-(2,2-dimethylpropanoyl)-2,3-dihydroindol-5-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 66819696) has the molecular formula C26H26N4O2S and a molecular weight of 458.59 g/mol. Its IUPAC name is N-[1-(2,2-dimethylpropanoyl)-2,3-dihydroindol-5-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-dimethylpropanoyl)-2,3-dihydroindol-5-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID66819696
Molecular FormulaC26H26N4O2S
Molecular Weight458.59 g/mol
Exact Mass458.18
IUPAC NameN-[1-(2,2-dimethylpropanoyl)-2,3-dihydroindol-5-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc4c(c3)CCN4C(=O)C(C)(C)C)cc12
InChIInChI=1S/C26H26N4O2S/c1-16-20-15-22(33-24(20)30(28-16)19-8-6-5-7-9-19)23(31)27-18-10-11-21-17(14-18)12-13-29(21)25(32)26(2,3)4/h5-11,14-15H,12-13H2,1-4H3,(H,27,31)
InChIKeyWYHWEYHCSILBDH-UHFFFAOYSA-N
XLogP5.58
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.59
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-fluoro-4-(4-oxopiperidin-1-yl)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 66819670
3-methyl-N-[4-(methylcarbamoylamino)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 46540625
3-methyl-N-[4-(1-methylpiperidin-4-yl)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 66819577
3-methyl-1-phenyl-N-(4-piperazin-1-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 66819349
N-(3-cyanophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 2341628
3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 3226614
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 5019286
methyl 2-[[2-[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetate
CID 55781823
3-methyl-1-phenyl-N-(3-sulfamoylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 9413201
N-[(E)-benzylideneamino]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 6882686
3-methyl-1-phenyl-N-(4-piperidin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 66819584
N-(2-amino-2-methylpropyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 119626981

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-dimethylpropanoyl)-2,3-dihydroindol-5-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[1-(2,2-dimethylpropanoyl)-2,3-dihydroindol-5-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 66819696) is N-[1-(2,2-dimethylpropanoyl)-2,3-dihydroindol-5-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(2,2-dimethylpropanoyl)-2,3-dihydroindol-5-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(2,2-dimethylpropanoyl)-2,3-dihydroindol-5-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc4c(c3)CCN4C(=O)C(C)(C)C)cc12.
What is the InChIKey of N-[1-(2,2-dimethylpropanoyl)-2,3-dihydroindol-5-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is WYHWEYHCSILBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2S/c1-16-20-15-22(33-24(20)30(28-16)19-8-6-5-7-9-19)23(31)27-18-10-11-21-17(14-18)12-13-29(21)25(32)26(2,3)4/h5-11,14-15H,12-13H2,1-4H3,(H,27,31).
What are the key properties of N-[1-(2,2-dimethylpropanoyl)-2,3-dihydroindol-5-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
N-[1-(2,2-dimethylpropanoyl)-2,3-dihydroindol-5-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 458.59 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dimethylpropanoyl)-2,3-dihydroindol-5-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 66819696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).