[(2S,4S)-1-(1H-indazole-3-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone

C23H24N4O4 — CID 110198141

IUPAC[(2S,4S)-1-(1H-indazole-3-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)c1n[nH]c2ccccc12)N1CCOCC1
InChIInChI=1S/C23H24N4O4/c28-22(26-10-12-30-13-11-26)20-14-17(31-16-6-2-1-3-7-16)15-27(20)23(29)21-18-8-4-5-9-19(18)24-25-21/h1-9,17,20H,10-15H2,(H,24,25)/t17-,20-/m0/s1
InChIKeyWSAYSCVGGYABJT-PXNSSMCTSA-N
MW420.47 g/mol
LogP2.08
Rot. Bonds4

About [(2S,4S)-1-(1H-indazole-3-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2S,4S)-1-(1H-indazole-3-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 110198141) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is [(2S,4S)-1-(1H-indazole-3-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S,4S)-1-(1H-indazole-3-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID110198141
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name[(2S,4S)-1-(1H-indazole-3-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)c1n[nH]c2ccccc12)N1CCOCC1
InChIInChI=1S/C23H24N4O4/c28-22(26-10-12-30-13-11-26)20-14-17(31-16-6-2-1-3-7-16)15-27(20)23(29)21-18-8-4-5-9-19(18)24-25-21/h1-9,17,20H,10-15H2,(H,24,25)/t17-,20-/m0/s1
InChIKeyWSAYSCVGGYABJT-PXNSSMCTSA-N
XLogP2.08
TPSA87.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-1-(1H-indazole-3-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S,4S)-1-(1H-indazole-3-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 110198141) is [(2S,4S)-1-(1H-indazole-3-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S,4S)-1-(1H-indazole-3-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S,4S)-1-(1H-indazole-3-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone is O=C([C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)c1n[nH]c2ccccc12)N1CCOCC1.
What is the InChIKey of [(2S,4S)-1-(1H-indazole-3-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is WSAYSCVGGYABJT-PXNSSMCTSA-N. The full InChI is InChI=1S/C23H24N4O4/c28-22(26-10-12-30-13-11-26)20-14-17(31-16-6-2-1-3-7-16)15-27(20)23(29)21-18-8-4-5-9-19(18)24-25-21/h1-9,17,20H,10-15H2,(H,24,25)/t17-,20-/m0/s1.
What are the key properties of [(2S,4S)-1-(1H-indazole-3-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2S,4S)-1-(1H-indazole-3-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 420.47 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-1-(1H-indazole-3-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110198141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).