1-[4-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone

C23H26N4O2 — CID 166702258

IUPAC1-[4-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCC1)N1CCC(c2cc3cc(-c4cnco4)ccc3cn2)CC1
InChIInChI=1S/C23H26N4O2/c28-23(15-26-7-1-2-8-26)27-9-5-17(6-10-27)21-12-20-11-18(22-14-24-16-29-22)3-4-19(20)13-25-21/h3-4,11-14,16-17H,1-2,5-10,15H2
InChIKeyVBVBQLGIJYQRCM-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.69
Rot. Bonds4

About 1-[4-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone

1-[4-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone (PubChem CID 166702258) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-[4-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-[4-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
PubChem CID166702258
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-[4-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCC1)N1CCC(c2cc3cc(-c4cnco4)ccc3cn2)CC1
InChIInChI=1S/C23H26N4O2/c28-23(15-26-7-1-2-8-26)27-9-5-17(6-10-27)21-12-20-11-18(22-14-24-16-29-22)3-4-19(20)13-25-21/h3-4,11-14,16-17H,1-2,5-10,15H2
InChIKeyVBVBQLGIJYQRCM-UHFFFAOYSA-N
XLogP3.69
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone with MolForge

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Related Compounds

2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-pyrrolidin-1-ylacetyl)piperidin-4-yl]ethanone
CID 153003597
2-(azocan-1-yl)-1-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 90650761
2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 163349786
1-(2-cyclobutyloxy-4-pyridinyl)-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone
CID 160981198
1-(4-methylpiperidin-1-yl)-2-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone
CID 163346995
N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide
CID 138590403
2-(2-methylpyrrolidin-1-yl)-N-[7-(1,3-oxazol-5-yl)quinazolin-2-yl]acetamide
CID 138589177
1-piperidin-1-yl-2-[4-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819607
2-(dimethylamino)-1-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]ethanone
CID 92606069
2-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124941129
cyclohex-3-en-1-yl-(4-isoquinolin-3-ylpiperidin-1-yl)methanone
CID 110221173
3-[1-(2,2-difluoropropyl)piperidin-4-yl]-6-(1-methylpyrazol-4-yl)isoquinoline
CID 166954333

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-[4-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone (CID 166702258) is 1-[4-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-[4-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-[4-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone is O=C(CN1CCCC1)N1CCC(c2cc3cc(-c4cnco4)ccc3cn2)CC1.
What is the InChIKey of 1-[4-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone?
The InChIKey is VBVBQLGIJYQRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-23(15-26-7-1-2-8-26)27-9-5-17(6-10-27)21-12-20-11-18(22-14-24-16-29-22)3-4-19(20)13-25-21/h3-4,11-14,16-17H,1-2,5-10,15H2.
What are the key properties of 1-[4-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone?
1-[4-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone has a molecular weight of 390.49 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 166702258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).