N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-(1-methylpyrazol-3-yl)-1H-indazol-5-amine

C19H18FN5O2S — CID 155561078

IUPACN-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-(1-methylpyrazol-3-yl)-1H-indazol-5-amine
SMILESCn1ccc(-c2n[nH]c3ccc(NCc4cc(F)ccc4S(C)(=O)=O)cc23)n1
InChIInChI=1S/C19H18FN5O2S/c1-25-8-7-17(24-25)19-15-10-14(4-5-16(15)22-23-19)21-11-12-9-13(20)3-6-18(12)28(2,26)27/h3-10,21H,11H2,1-2H3,(H,22,23)
InChIKeyYTFMVOGDUWRAJU-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.12
Rot. Bonds5

About N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-(1-methylpyrazol-3-yl)-1H-indazol-5-amine

N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-(1-methylpyrazol-3-yl)-1H-indazol-5-amine (PubChem CID 155561078) has the molecular formula C19H18FN5O2S and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-(1-methylpyrazol-3-yl)-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-(1-methylpyrazol-3-yl)-1H-indazol-5-amine
PubChem CID155561078
Molecular FormulaC19H18FN5O2S
Molecular Weight399.45 g/mol
Exact Mass399.12
IUPAC NameN-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-(1-methylpyrazol-3-yl)-1H-indazol-5-amine
SMILESCn1ccc(-c2n[nH]c3ccc(NCc4cc(F)ccc4S(C)(=O)=O)cc23)n1
InChIInChI=1S/C19H18FN5O2S/c1-25-8-7-17(24-25)19-15-10-14(4-5-16(15)22-23-19)21-11-12-9-13(20)3-6-18(12)28(2,26)27/h3-10,21H,11H2,1-2H3,(H,22,23)
InChIKeyYTFMVOGDUWRAJU-UHFFFAOYSA-N
XLogP3.12
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-pyridin-3-yl-1H-indazol-5-amine
CID 155529416
N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-(1-methylpyrazol-4-yl)-1H-indazol-5-amine
CID 155557330
3-[5-(cyclohexylamino)-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide
CID 54675539
N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]methanesulfonamide
CID 118959995
N-methyl-N-(3-methylsulfonylphenyl)-3-pyridin-4-yl-1H-indazol-5-amine
CID 137639268
N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-1-methyl-3-quinolin-3-ylindazol-5-amine
CID 145971892
N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-pyridin-2-yl-1H-indazol-5-amine
CID 155568540
N-[1-[[3-(methylsulfonylmethyl)phenyl]methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 25009015
n-(1-(4-(Methylsulfonyl)benzyl)piperidin-3-yl)-1h-indazol-5-amine
CID 25009523
N-[1-[4-(Methylsulfonyl)benzyl]pyrrolidin-3-yl]-1H-indazol-5-amine
CID 25009525
N-[1-[3-(Methylsulfonyl)benzyl]piperidin-3-yl]-1H-indazol-5-amine
CID 25009704
N-[3-[[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methanesulfonamide
CID 25010078

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-(1-methylpyrazol-3-yl)-1H-indazol-5-amine?
The IUPAC name of N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-(1-methylpyrazol-3-yl)-1H-indazol-5-amine (CID 155561078) is N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-(1-methylpyrazol-3-yl)-1H-indazol-5-amine.
What is the SMILES notation for N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-(1-methylpyrazol-3-yl)-1H-indazol-5-amine?
The canonical SMILES for N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-(1-methylpyrazol-3-yl)-1H-indazol-5-amine is Cn1ccc(-c2n[nH]c3ccc(NCc4cc(F)ccc4S(C)(=O)=O)cc23)n1.
What is the InChIKey of N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-(1-methylpyrazol-3-yl)-1H-indazol-5-amine?
The InChIKey is YTFMVOGDUWRAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2S/c1-25-8-7-17(24-25)19-15-10-14(4-5-16(15)22-23-19)21-11-12-9-13(20)3-6-18(12)28(2,26)27/h3-10,21H,11H2,1-2H3,(H,22,23).
What are the key properties of N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-(1-methylpyrazol-3-yl)-1H-indazol-5-amine?
N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-(1-methylpyrazol-3-yl)-1H-indazol-5-amine has a molecular weight of 399.45 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-(1-methylpyrazol-3-yl)-1H-indazol-5-amine is sourced from PubChem (CID 155561078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).