[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C24H27FN4O4S — CID 51950995

IUPAC[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)C1
InChIInChI=1S/C24H27FN4O4S/c1-15-23(16(2)33-27-15)34(31,32)29-9-3-4-18(14-29)24(30)28-10-7-17(8-11-28)21-13-26-22-12-19(25)5-6-20(21)22/h5-7,12-13,18,26H,3-4,8-11,14H2,1-2H3/t18-/m0/s1
InChIKeyQCCNFQIOBCHOAT-SFHVURJKSA-N
MW486.57 g/mol
LogP3.63
Rot. Bonds4

About [(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone

[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 51950995) has the molecular formula C24H27FN4O4S and a molecular weight of 486.57 g/mol. Its IUPAC name is [(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID51950995
Molecular FormulaC24H27FN4O4S
Molecular Weight486.57 g/mol
Exact Mass486.17
IUPAC Name[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)C1
InChIInChI=1S/C24H27FN4O4S/c1-15-23(16(2)33-27-15)34(31,32)29-9-3-4-18(14-29)24(30)28-10-7-17(8-11-28)21-13-26-22-12-19(25)5-6-20(21)22/h5-7,12-13,18,26H,3-4,8-11,14H2,1-2H3/t18-/m0/s1
InChIKeyQCCNFQIOBCHOAT-SFHVURJKSA-N
XLogP3.63
TPSA99.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of [(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 51950995) is [(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for [(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for [(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone is Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)C1.
What is the InChIKey of [(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is QCCNFQIOBCHOAT-SFHVURJKSA-N. The full InChI is InChI=1S/C24H27FN4O4S/c1-15-23(16(2)33-27-15)34(31,32)29-9-3-4-18(14-29)24(30)28-10-7-17(8-11-28)21-13-26-22-12-19(25)5-6-20(21)22/h5-7,12-13,18,26H,3-4,8-11,14H2,1-2H3/t18-/m0/s1.
What are the key properties of [(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 486.57 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 51950995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).