N-methyl-N-[2-(3-methylsulfonylphenyl)pyrimidin-4-yl]-1H-indazol-4-amine

C19H17N5O2S — CID 66930985

IUPACN-methyl-N-[2-(3-methylsulfonylphenyl)pyrimidin-4-yl]-1H-indazol-4-amine
SMILESCN(c1ccnc(-c2cccc(S(C)(=O)=O)c2)n1)c1cccc2[nH]ncc12
InChIInChI=1S/C19H17N5O2S/c1-24(17-8-4-7-16-15(17)12-21-23-16)18-9-10-20-19(22-18)13-5-3-6-14(11-13)27(2,25)26/h3-12H,1-2H3,(H,21,23)
InChIKeyUEFWPBSROUVAOV-UHFFFAOYSA-N
MW379.45 g/mol
LogP3.19
Rot. Bonds4

About N-methyl-N-[2-(3-methylsulfonylphenyl)pyrimidin-4-yl]-1H-indazol-4-amine

N-methyl-N-[2-(3-methylsulfonylphenyl)pyrimidin-4-yl]-1H-indazol-4-amine (PubChem CID 66930985) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is N-methyl-N-[2-(3-methylsulfonylphenyl)pyrimidin-4-yl]-1H-indazol-4-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(3-methylsulfonylphenyl)pyrimidin-4-yl]-1H-indazol-4-amine
PubChem CID66930985
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC NameN-methyl-N-[2-(3-methylsulfonylphenyl)pyrimidin-4-yl]-1H-indazol-4-amine
SMILESCN(c1ccnc(-c2cccc(S(C)(=O)=O)c2)n1)c1cccc2[nH]ncc12
InChIInChI=1S/C19H17N5O2S/c1-24(17-8-4-7-16-15(17)12-21-23-16)18-9-10-20-19(22-18)13-5-3-6-14(11-13)27(2,25)26/h3-12H,1-2H3,(H,21,23)
InChIKeyUEFWPBSROUVAOV-UHFFFAOYSA-N
XLogP3.19
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(3-methylsulfonylphenyl)pyrimidin-4-yl]-1H-indazol-4-amine?
The IUPAC name of N-methyl-N-[2-(3-methylsulfonylphenyl)pyrimidin-4-yl]-1H-indazol-4-amine (CID 66930985) is N-methyl-N-[2-(3-methylsulfonylphenyl)pyrimidin-4-yl]-1H-indazol-4-amine.
What is the SMILES notation for N-methyl-N-[2-(3-methylsulfonylphenyl)pyrimidin-4-yl]-1H-indazol-4-amine?
The canonical SMILES for N-methyl-N-[2-(3-methylsulfonylphenyl)pyrimidin-4-yl]-1H-indazol-4-amine is CN(c1ccnc(-c2cccc(S(C)(=O)=O)c2)n1)c1cccc2[nH]ncc12.
What is the InChIKey of N-methyl-N-[2-(3-methylsulfonylphenyl)pyrimidin-4-yl]-1H-indazol-4-amine?
The InChIKey is UEFWPBSROUVAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c1-24(17-8-4-7-16-15(17)12-21-23-16)18-9-10-20-19(22-18)13-5-3-6-14(11-13)27(2,25)26/h3-12H,1-2H3,(H,21,23).
What are the key properties of N-methyl-N-[2-(3-methylsulfonylphenyl)pyrimidin-4-yl]-1H-indazol-4-amine?
N-methyl-N-[2-(3-methylsulfonylphenyl)pyrimidin-4-yl]-1H-indazol-4-amine has a molecular weight of 379.45 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(3-methylsulfonylphenyl)pyrimidin-4-yl]-1H-indazol-4-amine is sourced from PubChem (CID 66930985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).