6-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylsulfonyloxan-4-yl)-N-(1H-pyrazol-5-yl)pyridin-2-amine

C19H27N5O4S — CID 166928055

IUPAC6-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylsulfonyloxan-4-yl)-N-(1H-pyrazol-5-yl)pyridin-2-amine
SMILESC[C@@H]1COCCN1c1cc(C2(S(C)(=O)=O)CCOCC2)cc(Nc2ccn[nH]2)n1
InChIInChI=1S/C19H27N5O4S/c1-14-13-28-10-7-24(14)18-12-15(11-17(22-18)21-16-3-6-20-23-16)19(29(2,25)26)4-8-27-9-5-19/h3,6,11-12,14H,4-5,7-10,13H2,1-2H3,(H2,20,21,22,23)/t14-/m1/s1
InChIKeyNUVRXNUYIMLMDG-CQSZACIVSA-N
MW421.52 g/mol
LogP1.82
Rot. Bonds5

About 6-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylsulfonyloxan-4-yl)-N-(1H-pyrazol-5-yl)pyridin-2-amine

6-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylsulfonyloxan-4-yl)-N-(1H-pyrazol-5-yl)pyridin-2-amine (PubChem CID 166928055) has the molecular formula C19H27N5O4S and a molecular weight of 421.52 g/mol. Its IUPAC name is 6-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylsulfonyloxan-4-yl)-N-(1H-pyrazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylsulfonyloxan-4-yl)-N-(1H-pyrazol-5-yl)pyridin-2-amine
PubChem CID166928055
Molecular FormulaC19H27N5O4S
Molecular Weight421.52 g/mol
Exact Mass421.18
IUPAC Name6-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylsulfonyloxan-4-yl)-N-(1H-pyrazol-5-yl)pyridin-2-amine
SMILESC[C@@H]1COCCN1c1cc(C2(S(C)(=O)=O)CCOCC2)cc(Nc2ccn[nH]2)n1
InChIInChI=1S/C19H27N5O4S/c1-14-13-28-10-7-24(14)18-12-15(11-17(22-18)21-16-3-6-20-23-16)19(29(2,25)26)4-8-27-9-5-19/h3,6,11-12,14H,4-5,7-10,13H2,1-2H3,(H2,20,21,22,23)/t14-/m1/s1
InChIKeyNUVRXNUYIMLMDG-CQSZACIVSA-N
XLogP1.82
TPSA109.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(3R)-4-[6-chloro-4-(4-methylsulfonyloxan-4-yl)-2-pyridinyl]-3-methylmorpholine
CID 166927953
1-[2-[(3R)-3-methylmorpholin-4-yl]-6-(1H-pyrazol-5-ylamino)-4-pyridinyl]cyclopentane-1-carbonitrile
CID 166927935
3-(iodomethyl)-6-[(3R)-3-methylmorpholin-4-yl]-4-(1-methylsulfonylcyclopropyl)-N-(1H-pyrazol-5-yl)pyridin-2-amine
CID 170361452
2-methyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-6-(1H-pyrazol-5-ylamino)-4-pyridinyl]propanenitrile
CID 166928099
4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]-N-(1H-pyrazol-5-yl)pyridin-2-amine
CID 166928001
4-(3-methylmorpholin-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-amine
CID 170305517
N-methyl-1-[5-[6-[(3S)-3-methylmorpholin-4-yl]-4-(1-methylsulfonylcyclopropyl)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]methanamine
CID 142605112
(3S)-4-[6-bromo-4-(4-methylsulfonyloxan-4-yl)-2-pyridinyl]-3-ethylmorpholine
CID 138688370
imino-methyl-[1-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopropyl]-oxo-λ6-sulfane
CID 169061239
imino-methyl-[1-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopropyl]-oxo-λ6-sulfane
CID 169061194
1-methyl-4-[(3R)-3-methylmorpholin-4-yl]-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-1-ium-2-amine
CID 169304952
1-[2-[(3R)-3-methylmorpholin-4-yl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-pyridinyl]cyclohexane-1-carbonitrile
CID 169304962

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylsulfonyloxan-4-yl)-N-(1H-pyrazol-5-yl)pyridin-2-amine?
The IUPAC name of 6-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylsulfonyloxan-4-yl)-N-(1H-pyrazol-5-yl)pyridin-2-amine (CID 166928055) is 6-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylsulfonyloxan-4-yl)-N-(1H-pyrazol-5-yl)pyridin-2-amine.
What is the SMILES notation for 6-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylsulfonyloxan-4-yl)-N-(1H-pyrazol-5-yl)pyridin-2-amine?
The canonical SMILES for 6-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylsulfonyloxan-4-yl)-N-(1H-pyrazol-5-yl)pyridin-2-amine is C[C@@H]1COCCN1c1cc(C2(S(C)(=O)=O)CCOCC2)cc(Nc2ccn[nH]2)n1.
What is the InChIKey of 6-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylsulfonyloxan-4-yl)-N-(1H-pyrazol-5-yl)pyridin-2-amine?
The InChIKey is NUVRXNUYIMLMDG-CQSZACIVSA-N. The full InChI is InChI=1S/C19H27N5O4S/c1-14-13-28-10-7-24(14)18-12-15(11-17(22-18)21-16-3-6-20-23-16)19(29(2,25)26)4-8-27-9-5-19/h3,6,11-12,14H,4-5,7-10,13H2,1-2H3,(H2,20,21,22,23)/t14-/m1/s1.
What are the key properties of 6-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylsulfonyloxan-4-yl)-N-(1H-pyrazol-5-yl)pyridin-2-amine?
6-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylsulfonyloxan-4-yl)-N-(1H-pyrazol-5-yl)pyridin-2-amine has a molecular weight of 421.52 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylsulfonyloxan-4-yl)-N-(1H-pyrazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 166928055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).