1-(furan-2-yl)-2-[(3S)-4-(1H-indazole-3-carbonyl)morpholin-3-yl]ethanone

C18H17N3O4 — CID 97244016

IUPAC1-(furan-2-yl)-2-[(3S)-4-(1H-indazole-3-carbonyl)morpholin-3-yl]ethanone
SMILESO=C(C[C@H]1COCCN1C(=O)c1n[nH]c2ccccc12)c1ccco1
InChIInChI=1S/C18H17N3O4/c22-15(16-6-3-8-25-16)10-12-11-24-9-7-21(12)18(23)17-13-4-1-2-5-14(13)19-20-17/h1-6,8,12H,7,9-11H2,(H,19,20)/t12-/m0/s1
InChIKeyUWRCGOMTIPDOTL-LBPRGKRZSA-N
MW339.35 g/mol
LogP2.27
Rot. Bonds4

About 1-(furan-2-yl)-2-[(3S)-4-(1H-indazole-3-carbonyl)morpholin-3-yl]ethanone

1-(furan-2-yl)-2-[(3S)-4-(1H-indazole-3-carbonyl)morpholin-3-yl]ethanone (PubChem CID 97244016) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[(3S)-4-(1H-indazole-3-carbonyl)morpholin-3-yl]ethanone.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[(3S)-4-(1H-indazole-3-carbonyl)morpholin-3-yl]ethanone
PubChem CID97244016
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name1-(furan-2-yl)-2-[(3S)-4-(1H-indazole-3-carbonyl)morpholin-3-yl]ethanone
SMILESO=C(C[C@H]1COCCN1C(=O)c1n[nH]c2ccccc12)c1ccco1
InChIInChI=1S/C18H17N3O4/c22-15(16-6-3-8-25-16)10-12-11-24-9-7-21(12)18(23)17-13-4-1-2-5-14(13)19-20-17/h1-6,8,12H,7,9-11H2,(H,19,20)/t12-/m0/s1
InChIKeyUWRCGOMTIPDOTL-LBPRGKRZSA-N
XLogP2.27
TPSA88.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[(3S)-4-(1H-indazole-3-carbonyl)morpholin-3-yl]ethanone?
The IUPAC name of 1-(furan-2-yl)-2-[(3S)-4-(1H-indazole-3-carbonyl)morpholin-3-yl]ethanone (CID 97244016) is 1-(furan-2-yl)-2-[(3S)-4-(1H-indazole-3-carbonyl)morpholin-3-yl]ethanone.
What is the SMILES notation for 1-(furan-2-yl)-2-[(3S)-4-(1H-indazole-3-carbonyl)morpholin-3-yl]ethanone?
The canonical SMILES for 1-(furan-2-yl)-2-[(3S)-4-(1H-indazole-3-carbonyl)morpholin-3-yl]ethanone is O=C(C[C@H]1COCCN1C(=O)c1n[nH]c2ccccc12)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-[(3S)-4-(1H-indazole-3-carbonyl)morpholin-3-yl]ethanone?
The InChIKey is UWRCGOMTIPDOTL-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17N3O4/c22-15(16-6-3-8-25-16)10-12-11-24-9-7-21(12)18(23)17-13-4-1-2-5-14(13)19-20-17/h1-6,8,12H,7,9-11H2,(H,19,20)/t12-/m0/s1.
What are the key properties of 1-(furan-2-yl)-2-[(3S)-4-(1H-indazole-3-carbonyl)morpholin-3-yl]ethanone?
1-(furan-2-yl)-2-[(3S)-4-(1H-indazole-3-carbonyl)morpholin-3-yl]ethanone has a molecular weight of 339.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-[(3S)-4-(1H-indazole-3-carbonyl)morpholin-3-yl]ethanone is sourced from PubChem (CID 97244016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).