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

C20H24N4S — CID 44594373

IUPACN-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
SMILESCSc1ccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)cc1
InChIInChI=1S/C20H24N4S/c1-25-19-7-4-15(5-8-19)13-24-10-2-3-18(14-24)22-17-6-9-20-16(11-17)12-21-23-20/h4-9,11-12,18,22H,2-3,10,13-14H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyDPZSYTMLVCLGRU-SFHVURJKSA-N
MW352.51 g/mol
LogP4.36
Rot. Bonds5

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

N-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine (PubChem CID 44594373) has the molecular formula C20H24N4S and a molecular weight of 352.51 g/mol. Its IUPAC name is N-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
PubChem CID44594373
Molecular FormulaC20H24N4S
Molecular Weight352.51 g/mol
Exact Mass352.17
IUPAC NameN-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
SMILESCSc1ccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)cc1
InChIInChI=1S/C20H24N4S/c1-25-19-7-4-15(5-8-19)13-24-10-2-3-18(14-24)22-17-6-9-20-16(11-17)12-21-23-20/h4-9,11-12,18,22H,2-3,10,13-14H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyDPZSYTMLVCLGRU-SFHVURJKSA-N
XLogP4.36
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.51
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-[(4-ethylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 58022462
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44599070
N-[1-[[3-(methylsulfanylamino)phenyl]methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 143703811
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-[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
CID 58022540
5-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole
CID 59159035
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

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The IUPAC name of N-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine (CID 44594373) is N-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine is CSc1ccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)cc1.
What is the InChIKey of N-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The InChIKey is DPZSYTMLVCLGRU-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N4S/c1-25-19-7-4-15(5-8-19)13-24-10-2-3-18(14-24)22-17-6-9-20-16(11-17)12-21-23-20/h4-9,11-12,18,22H,2-3,10,13-14H2,1H3,(H,21,23)/t18-/m0/s1.
What are the key properties of N-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
N-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine has a molecular weight of 352.51 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine is sourced from PubChem (CID 44594373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).