4-[4-[4-methyl-6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine

C22H23N5O — CID 162152446

IUPAC4-[4-[4-methyl-6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine
SMILESCc1cc(-c2cnn(C)c2)cc2c1CN=C2c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C22H23N5O/c1-15-9-17(18-12-25-26(2)14-18)10-19-20(15)13-24-22(19)16-3-4-23-21(11-16)27-5-7-28-8-6-27/h3-4,9-12,14H,5-8,13H2,1-2H3
InChIKeyZLJVJYNZZHMWAR-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.98
Rot. Bonds3

About 4-[4-[4-methyl-6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine

4-[4-[4-methyl-6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine (PubChem CID 162152446) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-[4-[4-methyl-6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-[4-methyl-6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine
PubChem CID162152446
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name4-[4-[4-methyl-6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine
SMILESCc1cc(-c2cnn(C)c2)cc2c1CN=C2c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C22H23N5O/c1-15-9-17(18-12-25-26(2)14-18)10-19-20(15)13-24-22(19)16-3-4-23-21(11-16)27-5-7-28-8-6-27/h3-4,9-12,14H,5-8,13H2,1-2H3
InChIKeyZLJVJYNZZHMWAR-UHFFFAOYSA-N
XLogP2.98
TPSA55.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 159477110
3-[2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-4-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-isoindole
CID 157070683
4-[4-(5-phenyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine
CID 157153991
4-[4-(6-cyclopropyl-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine
CID 157234129
[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol
CID 158695124
4-[4-[3-(1-methylimidazol-4-yl)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl]-2-pyridinyl]morpholine
CID 123986065
4-[3-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperazin-1-yl]propyl]morpholine
CID 157491720
6-fluoro-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-isoindole
CID 147132055
4-[4-(4-ethoxy-1H-pyrrolo[3,4-c]pyridin-3-yl)-2-pyridinyl]morpholine
CID 66826994
3-(2-morpholin-4-yl-4-pyridinyl)-2,1λ2-benzazastannole-5-carbaldehyde
CID 144697800
N-methyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]cyclopentanamine
CID 158445506
4-[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]morpholine
CID 175750570

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-methyl-6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-[4-methyl-6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine (CID 162152446) is 4-[4-[4-methyl-6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-[4-methyl-6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-[4-methyl-6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine is Cc1cc(-c2cnn(C)c2)cc2c1CN=C2c1ccnc(N2CCOCC2)c1.
What is the InChIKey of 4-[4-[4-methyl-6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine?
The InChIKey is ZLJVJYNZZHMWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-15-9-17(18-12-25-26(2)14-18)10-19-20(15)13-24-22(19)16-3-4-23-21(11-16)27-5-7-28-8-6-27/h3-4,9-12,14H,5-8,13H2,1-2H3.
What are the key properties of 4-[4-[4-methyl-6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine?
4-[4-[4-methyl-6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine has a molecular weight of 373.46 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-methyl-6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 162152446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).