2-methyl-5-(2-methylsulfonylpyrimidin-4-yl)-3-propan-2-ylpyrazolo[4,3-b]pyridine

C15H17N5O2S — CID 169234782

IUPAC2-methyl-5-(2-methylsulfonylpyrimidin-4-yl)-3-propan-2-ylpyrazolo[4,3-b]pyridine
SMILESCC(C)c1c2nc(-c3ccnc(S(C)(=O)=O)n3)ccc2nn1C
InChIInChI=1S/C15H17N5O2S/c1-9(2)14-13-12(19-20(14)3)6-5-10(17-13)11-7-8-16-15(18-11)23(4,21)22/h5-9H,1-4H3
InChIKeyJQFMVSUBDBAJEI-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.95
Rot. Bonds3

About 2-methyl-5-(2-methylsulfonylpyrimidin-4-yl)-3-propan-2-ylpyrazolo[4,3-b]pyridine

2-methyl-5-(2-methylsulfonylpyrimidin-4-yl)-3-propan-2-ylpyrazolo[4,3-b]pyridine (PubChem CID 169234782) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 2-methyl-5-(2-methylsulfonylpyrimidin-4-yl)-3-propan-2-ylpyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name2-methyl-5-(2-methylsulfonylpyrimidin-4-yl)-3-propan-2-ylpyrazolo[4,3-b]pyridine
PubChem CID169234782
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name2-methyl-5-(2-methylsulfonylpyrimidin-4-yl)-3-propan-2-ylpyrazolo[4,3-b]pyridine
SMILESCC(C)c1c2nc(-c3ccnc(S(C)(=O)=O)n3)ccc2nn1C
InChIInChI=1S/C15H17N5O2S/c1-9(2)14-13-12(19-20(14)3)6-5-10(17-13)11-7-8-16-15(18-11)23(4,21)22/h5-9H,1-4H3
InChIKeyJQFMVSUBDBAJEI-UHFFFAOYSA-N
XLogP1.95
TPSA90.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-5-(2-methylsulfonylpyrimidin-4-yl)-3-propan-2-ylindazole
CID 169234779
cis-(1S,3S)-1-N'-[4-(2-methyl-3-propan-2-ylpyrazolo[4,3-b]pyridin-5-yl)pyrimidin-2-yl]cyclopentane-1,1,3-triamine
CID 174232036
1-methyl-4-(2-methylsulfonylpyrimidin-4-yl)pyrazol-5-amine
CID 69399884
4-(3-bromo-5-propan-2-yl-1H-pyrazol-4-yl)-2-methylsulfonylpyrimidine
CID 101485891
4-(1-methylpyrazol-4-yl)-2-methylsulfonylpyrimidine
CID 67397716
4,6-bis(2-methylsulfonylpyrimidin-4-yl)pyrimidine-2-carboxylic acid
CID 167248210
1-(2-methylsulfonylpyrimidin-4-yl)ethanamine
CID 84670120
4-(2-methylsulfonylpyrimidin-4-yl)-1H-pyridin-2-one
CID 118447094
4-(2-chloro-3-pyridinyl)-2-methylsulfonylpyrimidine
CID 86602591
3-(2-methylsulfonylpyrimidin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine
CID 58784245
4,6-bis(2-methylsulfonylpyrimidin-4-yl)-1,3,5-triazine-2-carboxylic acid
CID 167248209
N-cyclopentyl-4-(7-fluoro-2-methyl-3-propan-2-ylpyrazolo[4,3-b]pyridin-5-yl)pyrimidin-2-amine
CID 169234797

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylsulfonylpyrimidin-4-yl)-3-propan-2-ylpyrazolo[4,3-b]pyridine?
The IUPAC name of 2-methyl-5-(2-methylsulfonylpyrimidin-4-yl)-3-propan-2-ylpyrazolo[4,3-b]pyridine (CID 169234782) is 2-methyl-5-(2-methylsulfonylpyrimidin-4-yl)-3-propan-2-ylpyrazolo[4,3-b]pyridine.
What is the SMILES notation for 2-methyl-5-(2-methylsulfonylpyrimidin-4-yl)-3-propan-2-ylpyrazolo[4,3-b]pyridine?
The canonical SMILES for 2-methyl-5-(2-methylsulfonylpyrimidin-4-yl)-3-propan-2-ylpyrazolo[4,3-b]pyridine is CC(C)c1c2nc(-c3ccnc(S(C)(=O)=O)n3)ccc2nn1C.
What is the InChIKey of 2-methyl-5-(2-methylsulfonylpyrimidin-4-yl)-3-propan-2-ylpyrazolo[4,3-b]pyridine?
The InChIKey is JQFMVSUBDBAJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-9(2)14-13-12(19-20(14)3)6-5-10(17-13)11-7-8-16-15(18-11)23(4,21)22/h5-9H,1-4H3.
What are the key properties of 2-methyl-5-(2-methylsulfonylpyrimidin-4-yl)-3-propan-2-ylpyrazolo[4,3-b]pyridine?
2-methyl-5-(2-methylsulfonylpyrimidin-4-yl)-3-propan-2-ylpyrazolo[4,3-b]pyridine has a molecular weight of 331.40 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylsulfonylpyrimidin-4-yl)-3-propan-2-ylpyrazolo[4,3-b]pyridine is sourced from PubChem (CID 169234782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).