2-[(3S)-3-methylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide

C19H22N6O2 — CID 138591082

IUPAC2-[(3S)-3-methylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
SMILESC[C@H]1COCCN1CC(=O)Nc1cc2cc(-c3cnn(C)c3)ccc2nn1
InChIInChI=1S/C19H22N6O2/c1-13-12-27-6-5-25(13)11-19(26)21-18-8-15-7-14(3-4-17(15)22-23-18)16-9-20-24(2)10-16/h3-4,7-10,13H,5-6,11-12H2,1-2H3,(H,21,23,26)/t13-/m0/s1
InChIKeyUPHPFJULTXFUNH-ZDUSSCGKSA-N
MW366.43 g/mol
LogP1.69
Rot. Bonds4

About 2-[(3S)-3-methylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide

2-[(3S)-3-methylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide (PubChem CID 138591082) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 2-[(3S)-3-methylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(3S)-3-methylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
PubChem CID138591082
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name2-[(3S)-3-methylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
SMILESC[C@H]1COCCN1CC(=O)Nc1cc2cc(-c3cnn(C)c3)ccc2nn1
InChIInChI=1S/C19H22N6O2/c1-13-12-27-6-5-25(13)11-19(26)21-18-8-15-7-14(3-4-17(15)22-23-18)16-9-20-24(2)10-16/h3-4,7-10,13H,5-6,11-12H2,1-2H3,(H,21,23,26)/t13-/m0/s1
InChIKeyUPHPFJULTXFUNH-ZDUSSCGKSA-N
XLogP1.69
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-methylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide?
The IUPAC name of 2-[(3S)-3-methylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide (CID 138591082) is 2-[(3S)-3-methylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide.
What is the SMILES notation for 2-[(3S)-3-methylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide?
The canonical SMILES for 2-[(3S)-3-methylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide is C[C@H]1COCCN1CC(=O)Nc1cc2cc(-c3cnn(C)c3)ccc2nn1.
What is the InChIKey of 2-[(3S)-3-methylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide?
The InChIKey is UPHPFJULTXFUNH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-13-12-27-6-5-25(13)11-19(26)21-18-8-15-7-14(3-4-17(15)22-23-18)16-9-20-24(2)10-16/h3-4,7-10,13H,5-6,11-12H2,1-2H3,(H,21,23,26)/t13-/m0/s1.
What are the key properties of 2-[(3S)-3-methylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide?
2-[(3S)-3-methylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide has a molecular weight of 366.43 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-methylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide is sourced from PubChem (CID 138591082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).