N-[(3S)-1-[(4-ethylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine

C21H26N4S — CID 58022462

IUPACN-[(3S)-1-[(4-ethylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
SMILESCCSc1ccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)cc1
InChIInChI=1S/C21H26N4S/c1-2-26-20-8-5-16(6-9-20)14-25-11-3-4-19(15-25)23-18-7-10-21-17(12-18)13-22-24-21/h5-10,12-13,19,23H,2-4,11,14-15H2,1H3,(H,22,24)/t19-/m0/s1
InChIKeyDLTBJFNKVNSDQJ-IBGZPJMESA-N
MW366.53 g/mol
LogP4.75
Rot. Bonds6

About N-[(3S)-1-[(4-ethylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine

N-[(3S)-1-[(4-ethylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine (PubChem CID 58022462) has the molecular formula C21H26N4S and a molecular weight of 366.53 g/mol. Its IUPAC name is N-[(3S)-1-[(4-ethylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[(3S)-1-[(4-ethylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
PubChem CID58022462
Molecular FormulaC21H26N4S
Molecular Weight366.53 g/mol
Exact Mass366.19
IUPAC NameN-[(3S)-1-[(4-ethylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
SMILESCCSc1ccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)cc1
InChIInChI=1S/C21H26N4S/c1-2-26-20-8-5-16(6-9-20)14-25-11-3-4-19(15-25)23-18-7-10-21-17(12-18)13-22-24-21/h5-10,12-13,19,23H,2-4,11,14-15H2,1H3,(H,22,24)/t19-/m0/s1
InChIKeyDLTBJFNKVNSDQJ-IBGZPJMESA-N
XLogP4.75
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44594373
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44599070
N-[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
CID 58022546
N-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 58022538
2-[4-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol
CID 25009893
N-[1-[[3-(methylsulfanylamino)phenyl]methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 143703811
N-[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
CID 58022540
N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
CID 57446054
N-[2-chloro-5-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide
CID 44594371
N-[(3R)-1-[(3-ethynylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44599558
N-[1-[[3-(methylsulfonylmethyl)phenyl]methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 25009015
N-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenyl]methanesulfinamide
CID 143919543

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(4-ethylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The IUPAC name of N-[(3S)-1-[(4-ethylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine (CID 58022462) is N-[(3S)-1-[(4-ethylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[(3S)-1-[(4-ethylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[(3S)-1-[(4-ethylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine is CCSc1ccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)cc1.
What is the InChIKey of N-[(3S)-1-[(4-ethylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The InChIKey is DLTBJFNKVNSDQJ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N4S/c1-2-26-20-8-5-16(6-9-20)14-25-11-3-4-19(15-25)23-18-7-10-21-17(12-18)13-22-24-21/h5-10,12-13,19,23H,2-4,11,14-15H2,1H3,(H,22,24)/t19-/m0/s1.
What are the key properties of N-[(3S)-1-[(4-ethylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
N-[(3S)-1-[(4-ethylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine has a molecular weight of 366.53 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(4-ethylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine is sourced from PubChem (CID 58022462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).