N-(3-methylsulfanyl-1-phenylindazol-6-yl)piperidine-3-carboxamide;hydrochloride

C20H23ClN4OS — CID 67446765

IUPACN-(3-methylsulfanyl-1-phenylindazol-6-yl)piperidine-3-carboxamide;hydrochloride
SMILESCSc1nn(-c2ccccc2)c2cc(NC(=O)C3CCCNC3)ccc12.Cl
InChIInChI=1S/C20H22N4OS.ClH/c1-26-20-17-10-9-15(22-19(25)14-6-5-11-21-13-14)12-18(17)24(23-20)16-7-3-2-4-8-16;/h2-4,7-10,12,14,21H,5-6,11,13H2,1H3,(H,22,25);1H
InChIKeyFSZUXRBYZFFNEO-UHFFFAOYSA-N
MW402.95 g/mol
LogP4.11
Rot. Bonds4

About N-(3-methylsulfanyl-1-phenylindazol-6-yl)piperidine-3-carboxamide;hydrochloride

N-(3-methylsulfanyl-1-phenylindazol-6-yl)piperidine-3-carboxamide;hydrochloride (PubChem CID 67446765) has the molecular formula C20H23ClN4OS and a molecular weight of 402.95 g/mol. Its IUPAC name is N-(3-methylsulfanyl-1-phenylindazol-6-yl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methylsulfanyl-1-phenylindazol-6-yl)piperidine-3-carboxamide;hydrochloride
PubChem CID67446765
Molecular FormulaC20H23ClN4OS
Molecular Weight402.95 g/mol
Exact Mass402.13
IUPAC NameN-(3-methylsulfanyl-1-phenylindazol-6-yl)piperidine-3-carboxamide;hydrochloride
SMILESCSc1nn(-c2ccccc2)c2cc(NC(=O)C3CCCNC3)ccc12.Cl
InChIInChI=1S/C20H22N4OS.ClH/c1-26-20-17-10-9-15(22-19(25)14-6-5-11-21-13-14)12-18(17)24(23-20)16-7-3-2-4-8-16;/h2-4,7-10,12,14,21H,5-6,11,13H2,1H3,(H,22,25);1H
InChIKeyFSZUXRBYZFFNEO-UHFFFAOYSA-N
XLogP4.11
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.95
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methylsulfanyl-1-phenylindazol-6-yl)-3-piperidin-4-ylurea;hydrochloride
CID 67448261
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperidine-3-carboxamide
CID 119275721
2-fluoro-4-[[(3S)-piperidine-3-carbonyl]amino]benzoic acid
CID 107795041
N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119289646
N-[4-(phenylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119307803
N-[4-(1-methylbenzimidazol-2-yl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 126772083
N-(3-bromo-4-fluorophenyl)piperidine-3-carboxamide;hydrochloride
CID 119281108
N-(3-benzoylphenyl)piperidine-3-carboxamide
CID 119279700
2-methyl-5-(piperidine-3-carbonylamino)benzoic acid
CID 63653513
1-(3-methylsulfanyl-1-phenylindazol-6-yl)-3-(pyrrolidin-3-ylmethyl)imidazolidin-2-one;hydrochloride
CID 67447003
N-(3-iodophenyl)piperidine-3-carboxamide;hydrochloride
CID 119263523
methyl 2-[[3-(piperidine-3-carbonylamino)phenyl]methylsulfanyl]acetate;hydrochloride
CID 119318862

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanyl-1-phenylindazol-6-yl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-methylsulfanyl-1-phenylindazol-6-yl)piperidine-3-carboxamide;hydrochloride (CID 67446765) is N-(3-methylsulfanyl-1-phenylindazol-6-yl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-methylsulfanyl-1-phenylindazol-6-yl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-methylsulfanyl-1-phenylindazol-6-yl)piperidine-3-carboxamide;hydrochloride is CSc1nn(-c2ccccc2)c2cc(NC(=O)C3CCCNC3)ccc12.Cl.
What is the InChIKey of N-(3-methylsulfanyl-1-phenylindazol-6-yl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is FSZUXRBYZFFNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS.ClH/c1-26-20-17-10-9-15(22-19(25)14-6-5-11-21-13-14)12-18(17)24(23-20)16-7-3-2-4-8-16;/h2-4,7-10,12,14,21H,5-6,11,13H2,1H3,(H,22,25);1H.
What are the key properties of N-(3-methylsulfanyl-1-phenylindazol-6-yl)piperidine-3-carboxamide;hydrochloride?
N-(3-methylsulfanyl-1-phenylindazol-6-yl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 402.95 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanyl-1-phenylindazol-6-yl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 67446765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).