5-[5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

C16H22N6O2S — CID 95894918

IUPAC5-[5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESCS(=O)(=O)c1cnc(N2CCc3[nH]ncc3C2)nc1[C@H]1CCCNC1
InChIInChI=1S/C16H22N6O2S/c1-25(23,24)14-9-18-16(20-15(14)11-3-2-5-17-7-11)22-6-4-13-12(10-22)8-19-21-13/h8-9,11,17H,2-7,10H2,1H3,(H,19,21)/t11-/m0/s1
InChIKeyACFKTGKLCCZVCF-NSHDSACASA-N
MW362.46 g/mol
LogP0.63
Rot. Bonds3

About 5-[5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

5-[5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 95894918) has the molecular formula C16H22N6O2S and a molecular weight of 362.46 g/mol. Its IUPAC name is 5-[5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
PubChem CID95894918
Molecular FormulaC16H22N6O2S
Molecular Weight362.46 g/mol
Exact Mass362.15
IUPAC Name5-[5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESCS(=O)(=O)c1cnc(N2CCc3[nH]ncc3C2)nc1[C@H]1CCCNC1
InChIInChI=1S/C16H22N6O2S/c1-25(23,24)14-9-18-16(20-15(14)11-3-2-5-17-7-11)22-6-4-13-12(10-22)8-19-21-13/h8-9,11,17H,2-7,10H2,1H3,(H,19,21)/t11-/m0/s1
InChIKeyACFKTGKLCCZVCF-NSHDSACASA-N
XLogP0.63
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine with MolForge

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Related Compounds

2-(4-methylpiperazin-1-yl)-5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidine
CID 95543227
2-(4-methylpiperazin-1-yl)-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidine
CID 95543228
1-(5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-yl)azocane;hydrochloride
CID 154885101
1-(5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-yl)azepane;hydrochloride
CID 154888601
1-[5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-yl]piperidin-4-ol
CID 95894083
1-ethyl-4-(5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-yl)piperazin-2-one;hydrochloride
CID 154884750
5-methylsulfonyl-4-[(3R)-piperidin-3-yl]-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
CID 95893655
5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-2-amine;dihydrochloride
CID 154884571
N-cyclobutyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine
CID 70759893
N-cycloheptyl-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 95897104
N,N-diethyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine
CID 56918134
N-(3-methylbutyl)-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 95897235

Frequently Asked Questions

What is the IUPAC name of 5-[5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The IUPAC name of 5-[5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 95894918) is 5-[5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.
What is the SMILES notation for 5-[5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The canonical SMILES for 5-[5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is CS(=O)(=O)c1cnc(N2CCc3[nH]ncc3C2)nc1[C@H]1CCCNC1.
What is the InChIKey of 5-[5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The InChIKey is ACFKTGKLCCZVCF-NSHDSACASA-N. The full InChI is InChI=1S/C16H22N6O2S/c1-25(23,24)14-9-18-16(20-15(14)11-3-2-5-17-7-11)22-6-4-13-12(10-22)8-19-21-13/h8-9,11,17H,2-7,10H2,1H3,(H,19,21)/t11-/m0/s1.
What are the key properties of 5-[5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
5-[5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 362.46 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 95894918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).