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

C20H25N5O2S — CID 24825745

IUPACN-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C20H25N5O2S/c1-28(26,27)24-18-5-2-4-15(10-18)13-25-9-3-6-19(14-25)22-17-7-8-20-16(11-17)12-21-23-20/h2,4-5,7-8,10-12,19,22,24H,3,6,9,13-14H2,1H3,(H,21,23)
InChIKeyVYDWBAYBPOUUPX-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.01
Rot. Bonds6

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

N-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide (PubChem CID 24825745) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide
PubChem CID24825745
Molecular FormulaC20H25N5O2S
Molecular Weight399.52 g/mol
Exact Mass399.17
IUPAC NameN-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C20H25N5O2S/c1-28(26,27)24-18-5-2-4-15(10-18)13-25-9-3-6-19(14-25)22-17-7-8-20-16(11-17)12-21-23-20/h2,4-5,7-8,10-12,19,22,24H,3,6,9,13-14H2,1H3,(H,21,23)
InChIKeyVYDWBAYBPOUUPX-UHFFFAOYSA-N
XLogP3.01
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Rho-Kinase-IN-1
CID 25008330
N-(2-(4-Phenylpiperazin-1-yl)ethyl)-N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine
CID 24866288
5-(2-phenethylpiperazin-1-yl)-1H-indazole
CID 49798218
1-(Benzenesulfonyl)-4-piperazin-1-ylindazole
CID 9840981
(R)-5-(2-((tetrahydro-2H-pyran-4-yl)methyl)piperazin-1-yl)-1H-indazole
CID 49798266
N-(1-benzylpiperidin-4-yl)-1H-indazol-5-amine
CID 9836178
N-(1-benzylpiperidin-3-yl)-1H-indazol-5-amine
CID 9857714
N-(1-(4-fluorobenzyl)piperidin-3-yl)-1H-indazol-5-amine
CID 9858433
N-(1H-5-Indazolyl)-N-(4-piperidyl)amine
CID 9899273
N-(1-benzylpyrrolidin-3-yl)-1H-indazol-5-amine
CID 9900683
N-(1-(3,4-difluorobenzyl)piperidin-3-yl)-1H-indazol-5-amine
CID 9967878
5-(4-Methylpiperazin-1-yl)-3-(phenylsulfonyl)-1h-indazole
CID 10383646

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide (CID 24825745) is N-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1.
What is the InChIKey of N-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide?
The InChIKey is VYDWBAYBPOUUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S/c1-28(26,27)24-18-5-2-4-15(10-18)13-25-9-3-6-19(14-25)22-17-7-8-20-16(11-17)12-21-23-20/h2,4-5,7-8,10-12,19,22,24H,3,6,9,13-14H2,1H3,(H,21,23).
What are the key properties of N-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide?
N-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide has a molecular weight of 399.52 g/mol, XLogP of 3.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 24825745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).