(2S,6R)-2,6-dimethyl-4-[4-[4-methyl-3-(pyridin-2-ylmethoxy)pyrazol-1-yl]cyclohexyl]morpholine

C22H32N4O2 — CID 148795618

IUPAC(2S,6R)-2,6-dimethyl-4-[4-[4-methyl-3-(pyridin-2-ylmethoxy)pyrazol-1-yl]cyclohexyl]morpholine
SMILESCc1cn(C2CCC(N3C[C@@H](C)O[C@@H](C)C3)CC2)nc1OCc1ccccn1
InChIInChI=1S/C22H32N4O2/c1-16-12-26(24-22(16)27-15-19-6-4-5-11-23-19)21-9-7-20(8-10-21)25-13-17(2)28-18(3)14-25/h4-6,11-12,17-18,20-21H,7-10,13-15H2,1-3H3/t17-,18+,20?,21?
InChIKeyONALHACDPZPIIE-FWGXRIOKSA-N
MW384.52 g/mol
LogP3.76
Rot. Bonds5

About (2S,6R)-2,6-dimethyl-4-[4-[4-methyl-3-(pyridin-2-ylmethoxy)pyrazol-1-yl]cyclohexyl]morpholine

(2S,6R)-2,6-dimethyl-4-[4-[4-methyl-3-(pyridin-2-ylmethoxy)pyrazol-1-yl]cyclohexyl]morpholine (PubChem CID 148795618) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-[4-[4-methyl-3-(pyridin-2-ylmethoxy)pyrazol-1-yl]cyclohexyl]morpholine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-4-[4-[4-methyl-3-(pyridin-2-ylmethoxy)pyrazol-1-yl]cyclohexyl]morpholine
PubChem CID148795618
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name(2S,6R)-2,6-dimethyl-4-[4-[4-methyl-3-(pyridin-2-ylmethoxy)pyrazol-1-yl]cyclohexyl]morpholine
SMILESCc1cn(C2CCC(N3C[C@@H](C)O[C@@H](C)C3)CC2)nc1OCc1ccccn1
InChIInChI=1S/C22H32N4O2/c1-16-12-26(24-22(16)27-15-19-6-4-5-11-23-19)21-9-7-20(8-10-21)25-13-17(2)28-18(3)14-25/h4-6,11-12,17-18,20-21H,7-10,13-15H2,1-3H3/t17-,18+,20?,21?
InChIKeyONALHACDPZPIIE-FWGXRIOKSA-N
XLogP3.76
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dimethyl-N-[2-(pyridin-2-ylmethoxy)phenyl]morpholine-4-carboxamide
CID 156609618
4-[2-[[1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexyl]-3-(pyrimidin-2-ylmethoxy)pyrazol-4-yl]amino]pyrimidin-5-yl]-2-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxybenzonitrile
CID 146445701
5-cyclopropyl-2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121185554
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 118775788
2-(1-cyclopropylethoxymethyl)pyridine
CID 88973388
4-ethyl-2-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine
CID 126812748
3-propan-2-yl-8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octane
CID 67986727
6-(4-methylphenyl)-9-(pyridin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
CID 11176956
(1R,5S)-6-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-3,6-diazabicyclo[3.2.2]nonane;dihydrochloride
CID 154901016
2-[(1-methylpyrazol-4-yl)oxymethyl]pyridine
CID 116794145
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 98750563
(2S)-2-methyl-4-(oxan-4-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine-1-carboxamide
CID 139009575

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-4-[4-[4-methyl-3-(pyridin-2-ylmethoxy)pyrazol-1-yl]cyclohexyl]morpholine?
The IUPAC name of (2S,6R)-2,6-dimethyl-4-[4-[4-methyl-3-(pyridin-2-ylmethoxy)pyrazol-1-yl]cyclohexyl]morpholine (CID 148795618) is (2S,6R)-2,6-dimethyl-4-[4-[4-methyl-3-(pyridin-2-ylmethoxy)pyrazol-1-yl]cyclohexyl]morpholine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-[4-[4-methyl-3-(pyridin-2-ylmethoxy)pyrazol-1-yl]cyclohexyl]morpholine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-4-[4-[4-methyl-3-(pyridin-2-ylmethoxy)pyrazol-1-yl]cyclohexyl]morpholine is Cc1cn(C2CCC(N3C[C@@H](C)O[C@@H](C)C3)CC2)nc1OCc1ccccn1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-4-[4-[4-methyl-3-(pyridin-2-ylmethoxy)pyrazol-1-yl]cyclohexyl]morpholine?
The InChIKey is ONALHACDPZPIIE-FWGXRIOKSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-16-12-26(24-22(16)27-15-19-6-4-5-11-23-19)21-9-7-20(8-10-21)25-13-17(2)28-18(3)14-25/h4-6,11-12,17-18,20-21H,7-10,13-15H2,1-3H3/t17-,18+,20?,21?.
What are the key properties of (2S,6R)-2,6-dimethyl-4-[4-[4-methyl-3-(pyridin-2-ylmethoxy)pyrazol-1-yl]cyclohexyl]morpholine?
(2S,6R)-2,6-dimethyl-4-[4-[4-methyl-3-(pyridin-2-ylmethoxy)pyrazol-1-yl]cyclohexyl]morpholine has a molecular weight of 384.52 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-4-[4-[4-methyl-3-(pyridin-2-ylmethoxy)pyrazol-1-yl]cyclohexyl]morpholine is sourced from PubChem (CID 148795618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).