N-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methoxyphenyl]methanesulfonamide

C21H27N5O3S — CID 57479972

IUPACN-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methoxyphenyl]methanesulfonamide
SMILESCOc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1NS(C)(=O)=O
InChIInChI=1S/C21H27N5O3S/c1-29-21-8-5-15(10-20(21)25-30(2,27)28)13-26-9-3-4-18(14-26)23-17-6-7-19-16(11-17)12-22-24-19/h5-8,10-12,18,23,25H,3-4,9,13-14H2,1-2H3,(H,22,24)
InChIKeyVZUWNZSQKXLROM-UHFFFAOYSA-N
MW429.55 g/mol
LogP3.02
Rot. Bonds7

About N-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methoxyphenyl]methanesulfonamide

N-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methoxyphenyl]methanesulfonamide (PubChem CID 57479972) has the molecular formula C21H27N5O3S and a molecular weight of 429.55 g/mol. Its IUPAC name is N-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methoxyphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methoxyphenyl]methanesulfonamide
PubChem CID57479972
Molecular FormulaC21H27N5O3S
Molecular Weight429.55 g/mol
Exact Mass429.18
IUPAC NameN-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methoxyphenyl]methanesulfonamide
SMILESCOc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1NS(C)(=O)=O
InChIInChI=1S/C21H27N5O3S/c1-29-21-8-5-15(10-20(21)25-30(2,27)28)13-26-9-3-4-18(14-26)23-17-6-7-19-16(11-17)12-22-24-19/h5-8,10-12,18,23,25H,3-4,9,13-14H2,1-2H3,(H,22,24)
InChIKeyVZUWNZSQKXLROM-UHFFFAOYSA-N
XLogP3.02
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methoxyphenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-chloro-5-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide
CID 44594371
N-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenyl]methanesulfonamide
CID 58022478
N-[1-[[3-(methylsulfonylmethyl)phenyl]methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 25009015
N-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenyl]methanesulfinamide
CID 143919543
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44599070
N-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44594373
N-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]-N-methylmethanesulfonamide
CID 25010600
N-[3-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]-N-methylmethanesulfonamide
CID 58022548
N-[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
CID 58022540
N-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 58022538
N-[(3S)-1-[(4-ethylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 58022462
2-[4-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol
CID 25009893

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methoxyphenyl]methanesulfonamide?
The IUPAC name of N-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methoxyphenyl]methanesulfonamide (CID 57479972) is N-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methoxyphenyl]methanesulfonamide.
What is the SMILES notation for N-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methoxyphenyl]methanesulfonamide?
The canonical SMILES for N-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methoxyphenyl]methanesulfonamide is COc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methoxyphenyl]methanesulfonamide?
The InChIKey is VZUWNZSQKXLROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3S/c1-29-21-8-5-15(10-20(21)25-30(2,27)28)13-26-9-3-4-18(14-26)23-17-6-7-19-16(11-17)12-22-24-19/h5-8,10-12,18,23,25H,3-4,9,13-14H2,1-2H3,(H,22,24).
What are the key properties of N-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methoxyphenyl]methanesulfonamide?
N-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methoxyphenyl]methanesulfonamide has a molecular weight of 429.55 g/mol, XLogP of 3.02, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methoxyphenyl]methanesulfonamide is sourced from PubChem (CID 57479972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).