5-[[1-[[3-(dimethylsulfamoylamino)-2-methylphenyl]methyl]piperidin-3-yl]amino]-1H-indazole

C22H30N6O2S — CID 59141485

IUPAC5-[[1-[[3-(dimethylsulfamoylamino)-2-methylphenyl]methyl]piperidin-3-yl]amino]-1H-indazole
SMILESCc1c(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cccc1NS(=O)(=O)N(C)C
InChIInChI=1S/C22H30N6O2S/c1-16-17(6-4-8-21(16)26-31(29,30)27(2)3)14-28-11-5-7-20(15-28)24-19-9-10-22-18(12-19)13-23-25-22/h4,6,8-10,12-13,20,24,26H,5,7,11,14-15H2,1-3H3,(H,23,25)
InChIKeyUAEHXYNCEKVRQW-UHFFFAOYSA-N
MW442.59 g/mol
LogP3.17
Rot. Bonds7

About 5-[[1-[[3-(dimethylsulfamoylamino)-2-methylphenyl]methyl]piperidin-3-yl]amino]-1H-indazole

5-[[1-[[3-(dimethylsulfamoylamino)-2-methylphenyl]methyl]piperidin-3-yl]amino]-1H-indazole (PubChem CID 59141485) has the molecular formula C22H30N6O2S and a molecular weight of 442.59 g/mol. Its IUPAC name is 5-[[1-[[3-(dimethylsulfamoylamino)-2-methylphenyl]methyl]piperidin-3-yl]amino]-1H-indazole.

Molecular Properties

Compound Name5-[[1-[[3-(dimethylsulfamoylamino)-2-methylphenyl]methyl]piperidin-3-yl]amino]-1H-indazole
PubChem CID59141485
Molecular FormulaC22H30N6O2S
Molecular Weight442.59 g/mol
Exact Mass442.22
IUPAC Name5-[[1-[[3-(dimethylsulfamoylamino)-2-methylphenyl]methyl]piperidin-3-yl]amino]-1H-indazole
SMILESCc1c(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cccc1NS(=O)(=O)N(C)C
InChIInChI=1S/C22H30N6O2S/c1-16-17(6-4-8-21(16)26-31(29,30)27(2)3)14-28-11-5-7-20(15-28)24-19-9-10-22-18(12-19)13-23-25-22/h4,6,8-10,12-13,20,24,26H,5,7,11,14-15H2,1-3H3,(H,23,25)
InChIKeyUAEHXYNCEKVRQW-UHFFFAOYSA-N
XLogP3.17
TPSA93.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.59
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[[1-[[3-(dimethylsulfamoylamino)-2-methylphenyl]methyl]piperidin-3-yl]amino]-1H-indazole with MolForge

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Related Compounds

N-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenyl]methanesulfonamide
CID 58022478
N-[3-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]-N-methylmethanesulfonamide
CID 58022548
N-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]-N-methylmethanesulfonamide
CID 25010600
N-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 58022538
N-[1-[[3-(methylsulfonylmethyl)phenyl]methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 25009015
N-[2-chloro-5-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide
CID 44594371
N-[(3R)-1-[(3-ethynylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44599558
N-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methoxyphenyl]methanesulfonamide
CID 57479972
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44599070
N-[1-[[3-(methylsulfanylamino)phenyl]methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 143703811
N-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44594373
3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]benzenesulfinamide
CID 143915550

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[[3-(dimethylsulfamoylamino)-2-methylphenyl]methyl]piperidin-3-yl]amino]-1H-indazole?
The IUPAC name of 5-[[1-[[3-(dimethylsulfamoylamino)-2-methylphenyl]methyl]piperidin-3-yl]amino]-1H-indazole (CID 59141485) is 5-[[1-[[3-(dimethylsulfamoylamino)-2-methylphenyl]methyl]piperidin-3-yl]amino]-1H-indazole.
What is the SMILES notation for 5-[[1-[[3-(dimethylsulfamoylamino)-2-methylphenyl]methyl]piperidin-3-yl]amino]-1H-indazole?
The canonical SMILES for 5-[[1-[[3-(dimethylsulfamoylamino)-2-methylphenyl]methyl]piperidin-3-yl]amino]-1H-indazole is Cc1c(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cccc1NS(=O)(=O)N(C)C.
What is the InChIKey of 5-[[1-[[3-(dimethylsulfamoylamino)-2-methylphenyl]methyl]piperidin-3-yl]amino]-1H-indazole?
The InChIKey is UAEHXYNCEKVRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2S/c1-16-17(6-4-8-21(16)26-31(29,30)27(2)3)14-28-11-5-7-20(15-28)24-19-9-10-22-18(12-19)13-23-25-22/h4,6,8-10,12-13,20,24,26H,5,7,11,14-15H2,1-3H3,(H,23,25).
What are the key properties of 5-[[1-[[3-(dimethylsulfamoylamino)-2-methylphenyl]methyl]piperidin-3-yl]amino]-1H-indazole?
5-[[1-[[3-(dimethylsulfamoylamino)-2-methylphenyl]methyl]piperidin-3-yl]amino]-1H-indazole has a molecular weight of 442.59 g/mol, XLogP of 3.17, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[[3-(dimethylsulfamoylamino)-2-methylphenyl]methyl]piperidin-3-yl]amino]-1H-indazole is sourced from PubChem (CID 59141485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).