6-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine

C19H22N6O3S — CID 127249216

IUPAC6-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCOC(c2ccc(Nc3ccccn3)cn2)C1
InChIInChI=1S/C19H22N6O3S/c1-13-19(14(2)24-23-13)29(26,27)25-9-10-28-17(12-25)16-7-6-15(11-21-16)22-18-5-3-4-8-20-18/h3-8,11,17H,9-10,12H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyKBMGIHAOJLSKBW-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.32
Rot. Bonds5

About 6-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine

6-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine (PubChem CID 127249216) has the molecular formula C19H22N6O3S and a molecular weight of 414.49 g/mol. Its IUPAC name is 6-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine.

Molecular Properties

Compound Name6-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine
PubChem CID127249216
Molecular FormulaC19H22N6O3S
Molecular Weight414.49 g/mol
Exact Mass414.15
IUPAC Name6-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCOC(c2ccc(Nc3ccccn3)cn2)C1
InChIInChI=1S/C19H22N6O3S/c1-13-19(14(2)24-23-13)29(26,27)25-9-10-28-17(12-25)16-7-6-15(11-21-16)22-18-5-3-4-8-20-18/h3-8,11,17H,9-10,12H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyKBMGIHAOJLSKBW-UHFFFAOYSA-N
XLogP2.32
TPSA113.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholine-4-sulfonamide
CID 127249076
6-[4-(3,4-dimethylphenyl)sulfonylmorpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine
CID 127249177
6-[(2R)-4-(1-methylimidazol-4-yl)sulfonylmorpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine
CID 124942643
N-pyridin-2-yl-6-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]pyridin-3-amine
CID 124994337
1-[4-[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholine-4-carbonyl]piperidin-1-yl]ethanone
CID 124976016
4-(benzenesulfonyl)-2-pyridin-2-ylmorpholine
CID 110270736
6-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine
CID 124958285
N-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine
CID 125023339
3,5-dimethyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-1H-pyrazole-4-sulfonamide
CID 122317317
6-[(2R)-4-[(E)-2-methyl-3-phenylprop-2-enyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine
CID 125006392
(5-fluoro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 124967067
3-(4-methoxyphenyl)-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 124961728

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine?
The IUPAC name of 6-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine (CID 127249216) is 6-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine.
What is the SMILES notation for 6-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine?
The canonical SMILES for 6-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCOC(c2ccc(Nc3ccccn3)cn2)C1.
What is the InChIKey of 6-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine?
The InChIKey is KBMGIHAOJLSKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3S/c1-13-19(14(2)24-23-13)29(26,27)25-9-10-28-17(12-25)16-7-6-15(11-21-16)22-18-5-3-4-8-20-18/h3-8,11,17H,9-10,12H2,1-2H3,(H,20,22)(H,23,24).
What are the key properties of 6-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine?
6-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine has a molecular weight of 414.49 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine is sourced from PubChem (CID 127249216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).