1H-indol-2-yl-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone

C19H22N4O2 — CID 75471254

IUPAC1H-indol-2-yl-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
SMILESCc1nn(C)c(C)c1C1COCCN1C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C19H22N4O2/c1-12-18(13(2)22(3)21-12)17-11-25-9-8-23(17)19(24)16-10-14-6-4-5-7-15(14)20-16/h4-7,10,17,20H,8-9,11H2,1-3H3
InChIKeyYOIDQXCTJXYXSO-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.73
Rot. Bonds2

About 1H-indol-2-yl-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone

1H-indol-2-yl-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone (PubChem CID 75471254) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1H-indol-2-yl-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name1H-indol-2-yl-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
PubChem CID75471254
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1H-indol-2-yl-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
SMILESCc1nn(C)c(C)c1C1COCCN1C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C19H22N4O2/c1-12-18(13(2)22(3)21-12)17-11-25-9-8-23(17)19(24)16-10-14-6-4-5-7-15(14)20-16/h4-7,10,17,20H,8-9,11H2,1-3H3
InChIKeyYOIDQXCTJXYXSO-UHFFFAOYSA-N
XLogP2.73
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone?
The IUPAC name of 1H-indol-2-yl-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone (CID 75471254) is 1H-indol-2-yl-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone.
What is the SMILES notation for 1H-indol-2-yl-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone?
The canonical SMILES for 1H-indol-2-yl-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone is Cc1nn(C)c(C)c1C1COCCN1C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of 1H-indol-2-yl-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone?
The InChIKey is YOIDQXCTJXYXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12-18(13(2)22(3)21-12)17-11-25-9-8-23(17)19(24)16-10-14-6-4-5-7-15(14)20-16/h4-7,10,17,20H,8-9,11H2,1-3H3.
What are the key properties of 1H-indol-2-yl-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone?
1H-indol-2-yl-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone has a molecular weight of 338.41 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 75471254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).