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

C19H23N5O2S — CID 25010078

IUPACN-[3-[[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(CN2CCC(Nc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C19H23N5O2S/c1-27(25,26)23-17-4-2-3-14(9-17)12-24-8-7-18(13-24)21-16-5-6-19-15(10-16)11-20-22-19/h2-6,9-11,18,21,23H,7-8,12-13H2,1H3,(H,20,22)
InChIKeyCPVFJCZYQSPUEE-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.62
Rot. Bonds6

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

N-[3-[[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methanesulfonamide (PubChem CID 25010078) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[3-[[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methanesulfonamide
PubChem CID25010078
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC NameN-[3-[[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(CN2CCC(Nc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C19H23N5O2S/c1-27(25,26)23-17-4-2-3-14(9-17)12-24-8-7-18(13-24)21-16-5-6-19-15(10-16)11-20-22-19/h2-6,9-11,18,21,23H,7-8,12-13H2,1H3,(H,20,22)
InChIKeyCPVFJCZYQSPUEE-UHFFFAOYSA-N
XLogP2.62
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-[[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methanesulfonamide with MolForge

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Related Compounds

Rho-Kinase-IN-1
CID 25008330
5-(2-phenethylpiperazin-1-yl)-1H-indazole
CID 49798218
N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-(1-methylpyrazol-4-yl)-1H-indazol-5-amine
CID 155557330
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
N-3-pyrrolidinyl-1H-indazol-5-amine
CID 17838141
N-(1-isobutylpiperidin-3-yl)-1H-indazol-5-amine
CID 17838157
N1-benzyl-N4-(1H-5-indazolyl)-1,4-cyclohexanediamine
CID 17838205

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methanesulfonamide (CID 25010078) is N-[3-[[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(CN2CCC(Nc3ccc4[nH]ncc4c3)C2)c1.
What is the InChIKey of N-[3-[[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methanesulfonamide?
The InChIKey is CPVFJCZYQSPUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-27(25,26)23-17-4-2-3-14(9-17)12-24-8-7-18(13-24)21-16-5-6-19-15(10-16)11-20-22-19/h2-6,9-11,18,21,23H,7-8,12-13H2,1H3,(H,20,22).
What are the key properties of N-[3-[[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methanesulfonamide?
N-[3-[[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methanesulfonamide has a molecular weight of 385.49 g/mol, XLogP of 2.62, 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)pyrrolidin-1-yl]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 25010078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).