6-[(2S)-1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine

C22H28N6O2S — CID 95835763

IUPAC6-[(2S)-1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine
SMILESCCCn1cc(S(=O)(=O)N2CCC[C@H]2c2cccc(Nc3ncccc3C)n2)c(C)n1
InChIInChI=1S/C22H28N6O2S/c1-4-13-27-15-20(17(3)26-27)31(29,30)28-14-7-10-19(28)18-9-5-11-21(24-18)25-22-16(2)8-6-12-23-22/h5-6,8-9,11-12,15,19H,4,7,10,13-14H2,1-3H3,(H,23,24,25)/t19-/m0/s1
InChIKeyRXVGFTNSHNFBCA-IBGZPJMESA-N
MW440.57 g/mol
LogP3.97
Rot. Bonds7

About 6-[(2S)-1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine

6-[(2S)-1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine (PubChem CID 95835763) has the molecular formula C22H28N6O2S and a molecular weight of 440.57 g/mol. Its IUPAC name is 6-[(2S)-1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name6-[(2S)-1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine
PubChem CID95835763
Molecular FormulaC22H28N6O2S
Molecular Weight440.57 g/mol
Exact Mass440.20
IUPAC Name6-[(2S)-1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine
SMILESCCCn1cc(S(=O)(=O)N2CCC[C@H]2c2cccc(Nc3ncccc3C)n2)c(C)n1
InChIInChI=1S/C22H28N6O2S/c1-4-13-27-15-20(17(3)26-27)31(29,30)28-14-7-10-19(28)18-9-5-11-21(24-18)25-22-16(2)8-6-12-23-22/h5-6,8-9,11-12,15,19H,4,7,10,13-14H2,1-3H3,(H,23,24,25)/t19-/m0/s1
InChIKeyRXVGFTNSHNFBCA-IBGZPJMESA-N
XLogP3.97
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[(2S)-1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

6-methyl-N-[6-[(2S)-1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyridin-2-amine
CID 95835761
6-[(2R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine
CID 95835623
1-[2-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110265055
2-methoxy-1-[(2S)-2-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95835160
N-cyclopropyl-2-methyl-4-[1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 110085104
6-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine
CID 110265515
6-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine
CID 95835978
6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine
CID 110265540
N-[6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 95835256
2-[(2S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-6-methyl-4-[(3-methylphenyl)methyl]pyridine
CID 92617232
N,N-dimethyl-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidine-1-sulfonamide
CID 110265114
N-[6-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 110265405

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine?
The IUPAC name of 6-[(2S)-1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine (CID 95835763) is 6-[(2S)-1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 6-[(2S)-1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine?
The canonical SMILES for 6-[(2S)-1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine is CCCn1cc(S(=O)(=O)N2CCC[C@H]2c2cccc(Nc3ncccc3C)n2)c(C)n1.
What is the InChIKey of 6-[(2S)-1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine?
The InChIKey is RXVGFTNSHNFBCA-IBGZPJMESA-N. The full InChI is InChI=1S/C22H28N6O2S/c1-4-13-27-15-20(17(3)26-27)31(29,30)28-14-7-10-19(28)18-9-5-11-21(24-18)25-22-16(2)8-6-12-23-22/h5-6,8-9,11-12,15,19H,4,7,10,13-14H2,1-3H3,(H,23,24,25)/t19-/m0/s1.
What are the key properties of 6-[(2S)-1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine?
6-[(2S)-1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine has a molecular weight of 440.57 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 95835763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).