N-[6-[3-(cyclopropylmethylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide

C21H22N4O3S — CID 137349551

IUPACN-[6-[3-(cyclopropylmethylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)CC4CC4)c3)ccc12)C1CC1
InChIInChI=1S/C21H22N4O3S/c26-21(14-6-7-14)22-20-18-9-8-16(11-19(18)23-24-20)15-2-1-3-17(10-15)25-29(27,28)12-13-4-5-13/h1-3,8-11,13-14,25H,4-7,12H2,(H2,22,23,24,26)
InChIKeyUSXZHEGWWNBLBI-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.73
Rot. Bonds7

About N-[6-[3-(cyclopropylmethylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide

N-[6-[3-(cyclopropylmethylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide (PubChem CID 137349551) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[6-[3-(cyclopropylmethylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[3-(cyclopropylmethylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide
PubChem CID137349551
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC NameN-[6-[3-(cyclopropylmethylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)CC4CC4)c3)ccc12)C1CC1
InChIInChI=1S/C21H22N4O3S/c26-21(14-6-7-14)22-20-18-9-8-16(11-19(18)23-24-20)15-2-1-3-17(10-15)25-29(27,28)12-13-4-5-13/h1-3,8-11,13-14,25H,4-7,12H2,(H2,22,23,24,26)
InChIKeyUSXZHEGWWNBLBI-UHFFFAOYSA-N
XLogP3.73
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Sgc aak1 1
CID 134812845
Sgc-cdkl2/aak1/bmp2K-1
CID 155543077
N-(5-phenyl-1H-indazol-3-yl)butanamide
CID 6539551
N-(6-phenyl-1H-indazol-3-yl)cyclopropanecarboxamide
CID 6539593
N-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539603
N-[6-(3-fluorophenyl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539606
N-(6-phenyl-1H-indazol-3-yl)butyramide
CID 10085013
N-(6-(4-aminophenyl)-1H-indazol-3-yl)butyramide
CID 10085818
N-(5-(1,1-Dioxidoisothiazolidin-2-YL)-1H-indazol-3-YL)-2-(4-piperidin-1-ylphenyl)acetamide
CID 10138993
N-[6-(4-sulfamoylphenyl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539597
N-[6-(3-sulfamoylphenyl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539598
N-[6-(3-methanesulfonamidophenyl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539599

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(cyclopropylmethylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[3-(cyclopropylmethylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide (CID 137349551) is N-[6-[3-(cyclopropylmethylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[3-(cyclopropylmethylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[3-(cyclopropylmethylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide is O=C(Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)CC4CC4)c3)ccc12)C1CC1.
What is the InChIKey of N-[6-[3-(cyclopropylmethylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide?
The InChIKey is USXZHEGWWNBLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c26-21(14-6-7-14)22-20-18-9-8-16(11-19(18)23-24-20)15-2-1-3-17(10-15)25-29(27,28)12-13-4-5-13/h1-3,8-11,13-14,25H,4-7,12H2,(H2,22,23,24,26).
What are the key properties of N-[6-[3-(cyclopropylmethylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide?
N-[6-[3-(cyclopropylmethylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide has a molecular weight of 410.50 g/mol, XLogP of 3.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(cyclopropylmethylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 137349551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).