3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C25H26N6O2S — CID 135352500

IUPAC3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2ccc(S(C)(=O)=O)cc2)n2nc(C)c(-c3ccc4c(c3)c(C)nn4C)c2n1
InChIInChI=1S/C25H26N6O2S/c1-15-12-23(26-14-18-6-9-20(10-7-18)34(5,32)33)31-25(27-15)24(17(3)29-31)19-8-11-22-21(13-19)16(2)28-30(22)4/h6-13,26H,14H2,1-5H3
InChIKeyRZXUNLOIVLNMQA-UHFFFAOYSA-N
MW474.59 g/mol
LogP4.22
Rot. Bonds5

About 3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 135352500) has the molecular formula C25H26N6O2S and a molecular weight of 474.59 g/mol. Its IUPAC name is 3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID135352500
Molecular FormulaC25H26N6O2S
Molecular Weight474.59 g/mol
Exact Mass474.18
IUPAC Name3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2ccc(S(C)(=O)=O)cc2)n2nc(C)c(-c3ccc4c(c3)c(C)nn4C)c2n1
InChIInChI=1S/C25H26N6O2S/c1-15-12-23(26-14-18-6-9-20(10-7-18)34(5,32)33)31-25(27-15)24(17(3)29-31)19-8-11-22-21(13-19)16(2)28-30(22)4/h6-13,26H,14H2,1-5H3
InChIKeyRZXUNLOIVLNMQA-UHFFFAOYSA-N
XLogP4.22
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 118255731
3-(1,3-dimethylindazol-5-yl)-N-ethyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 153316955
3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-[(3-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 118255736
3-(1,3-dimethylindazol-5-yl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 135356739
3-bromo-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 118265458
N-benzyl-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4183438
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4179582
N-(2-methoxyethyl)-2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 4905434
N-butyl-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3815077
2-[[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
CID 16668304
(1,3-dimethylindazol-5-yl)-trimethyl-λ4-sulfane
CID 123597078
N-butyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2044926

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 135352500) is 3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCc2ccc(S(C)(=O)=O)cc2)n2nc(C)c(-c3ccc4c(c3)c(C)nn4C)c2n1.
What is the InChIKey of 3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is RZXUNLOIVLNMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2S/c1-15-12-23(26-14-18-6-9-20(10-7-18)34(5,32)33)31-25(27-15)24(17(3)29-31)19-8-11-22-21(13-19)16(2)28-30(22)4/h6-13,26H,14H2,1-5H3.
What are the key properties of 3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 474.59 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 135352500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).