4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole

C17H24N4O2S — CID 121326522

IUPAC4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole
SMILESCS(=O)(=O)N1CCC(c2cc(N3CCCC3)cc3[nH]ncc23)CC1
InChIInChI=1S/C17H24N4O2S/c1-24(22,23)21-8-4-13(5-9-21)15-10-14(20-6-2-3-7-20)11-17-16(15)12-18-19-17/h10-13H,2-9H2,1H3,(H,18,19)
InChIKeyWFGIISPSDJYHEI-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.30
Rot. Bonds3

About 4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole

4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole (PubChem CID 121326522) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole.

Molecular Properties

Compound Name4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole
PubChem CID121326522
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole
SMILESCS(=O)(=O)N1CCC(c2cc(N3CCCC3)cc3[nH]ncc23)CC1
InChIInChI=1S/C17H24N4O2S/c1-24(22,23)21-8-4-13(5-9-21)15-10-14(20-6-2-3-7-20)11-17-16(15)12-18-19-17/h10-13H,2-9H2,1H3,(H,18,19)
InChIKeyWFGIISPSDJYHEI-UHFFFAOYSA-N
XLogP2.30
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]methanesulfonamide
CID 118959995
5-(dimethylamino)-N-(1H-indazol-6-yl)naphthalene-1-sulfonamide
CID 3011184
N-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide
CID 24825745
N-[3-[[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methanesulfonamide
CID 25010078
N-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide
CID 25010082
N-[3-[[(3S)-3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methanesulfonamide
CID 25010255
N-[3-[[(3R)-3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methanesulfonamide
CID 25010257
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]methanesulfonamide
CID 44594508
N-[6-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-1H-indazol-4-yl]methanesulfonamide
CID 145962731
1-((1-(phenylsulfonyl)piperidin-4-yl)methyl)-5-(1H-pyrazol-4-yl)-1H-indazole
CID 118674518
2-(1H-indazol-5-yl)-1,2-thiazolidine 1,1-dioxide
CID 141043599

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole?
The IUPAC name of 4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole (CID 121326522) is 4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole.
What is the SMILES notation for 4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole?
The canonical SMILES for 4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole is CS(=O)(=O)N1CCC(c2cc(N3CCCC3)cc3[nH]ncc23)CC1.
What is the InChIKey of 4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole?
The InChIKey is WFGIISPSDJYHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-24(22,23)21-8-4-13(5-9-21)15-10-14(20-6-2-3-7-20)11-17-16(15)12-18-19-17/h10-13H,2-9H2,1H3,(H,18,19).
What are the key properties of 4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole?
4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole has a molecular weight of 348.47 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole is sourced from PubChem (CID 121326522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).