N-(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)-3-piperidin-1-ylpropanamide;hydrochloride

C25H27ClN4O3S — CID 53323435

IUPACN-(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)-3-piperidin-1-ylpropanamide;hydrochloride
SMILESCl.O=C(CCN1CCCCC1)Nc1ccc2c(S(=O)(=O)c3cccc4ccccc34)[nH]nc2c1
InChIInChI=1S/C25H26N4O3S.ClH/c30-24(13-16-29-14-4-1-5-15-29)26-19-11-12-21-22(17-19)27-28-25(21)33(31,32)23-10-6-8-18-7-2-3-9-20(18)23;/h2-3,6-12,17H,1,4-5,13-16H2,(H,26,30)(H,27,28);1H
InChIKeySDGNRBAEFQJGHR-UHFFFAOYSA-N
MW499.04 g/mol
LogP4.79
Rot. Bonds6

About N-(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)-3-piperidin-1-ylpropanamide;hydrochloride

N-(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)-3-piperidin-1-ylpropanamide;hydrochloride (PubChem CID 53323435) has the molecular formula C25H27ClN4O3S and a molecular weight of 499.04 g/mol. Its IUPAC name is N-(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)-3-piperidin-1-ylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)-3-piperidin-1-ylpropanamide;hydrochloride
PubChem CID53323435
Molecular FormulaC25H27ClN4O3S
Molecular Weight499.04 g/mol
Exact Mass498.15
IUPAC NameN-(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)-3-piperidin-1-ylpropanamide;hydrochloride
SMILESCl.O=C(CCN1CCCCC1)Nc1ccc2c(S(=O)(=O)c3cccc4ccccc34)[nH]nc2c1
InChIInChI=1S/C25H26N4O3S.ClH/c30-24(13-16-29-14-4-1-5-15-29)26-19-11-12-21-22(17-19)27-28-25(21)33(31,32)23-10-6-8-18-7-2-3-9-20(18)23;/h2-3,6-12,17H,1,4-5,13-16H2,(H,26,30)(H,27,28);1H
InChIKeySDGNRBAEFQJGHR-UHFFFAOYSA-N
XLogP4.79
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.04
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)-3-piperidin-1-ylpropanamide
CID 53323436
3-naphthalen-1-ylsulfonyl-5-(3-piperidin-1-ylpropoxy)-2H-indazole;hydrochloride
CID 68681311
3-naphthalen-1-ylsulfonyl-5-(4-pyrrolidin-1-ylbutoxy)-2H-indazole
CID 68679898
N-(1-naphthalen-1-ylsulfonylindazol-6-yl)-3-piperidin-1-ylpropanamide
CID 24771124
N-[9-methyl-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3-pyrrolidin-1-ylpropanamide
CID 59868948
N-[9-(4-bromoanilino)acridin-3-yl]-3-pyrrolidin-1-ylpropanamide
CID 163184703
N-[9-(cycloheptylamino)-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3-pyrrolidin-1-ylpropanamide
CID 10120705
tert-butyl N-[1-[(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)amino]-1-oxopropan-2-yl]carbamate
CID 58812138
3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide;hydrochloride
CID 90483211
3-[3-(azepan-1-yl)propanoylamino]benzoic acid
CID 53215946
ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide
CID 143383579
N-(3-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 53313683

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)-3-piperidin-1-ylpropanamide;hydrochloride?
The IUPAC name of N-(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)-3-piperidin-1-ylpropanamide;hydrochloride (CID 53323435) is N-(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)-3-piperidin-1-ylpropanamide;hydrochloride.
What is the SMILES notation for N-(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)-3-piperidin-1-ylpropanamide;hydrochloride?
The canonical SMILES for N-(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)-3-piperidin-1-ylpropanamide;hydrochloride is Cl.O=C(CCN1CCCCC1)Nc1ccc2c(S(=O)(=O)c3cccc4ccccc34)[nH]nc2c1.
What is the InChIKey of N-(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)-3-piperidin-1-ylpropanamide;hydrochloride?
The InChIKey is SDGNRBAEFQJGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3S.ClH/c30-24(13-16-29-14-4-1-5-15-29)26-19-11-12-21-22(17-19)27-28-25(21)33(31,32)23-10-6-8-18-7-2-3-9-20(18)23;/h2-3,6-12,17H,1,4-5,13-16H2,(H,26,30)(H,27,28);1H.
What are the key properties of N-(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)-3-piperidin-1-ylpropanamide;hydrochloride?
N-(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)-3-piperidin-1-ylpropanamide;hydrochloride has a molecular weight of 499.04 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)-3-piperidin-1-ylpropanamide;hydrochloride is sourced from PubChem (CID 53323435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).