3-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-5-methyl-1,2-oxazole

C27H31FN4O — CID 134329236

IUPAC3-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(Cc5cc(C)on5)CC4)cc3c2C(C)C)c(F)cn1
InChIInChI=1S/C27H31FN4O/c1-16(2)26-23-13-20(19-7-9-32(10-8-19)15-21-12-18(4)33-31-21)5-6-25(23)30-27(26)22-11-17(3)29-14-24(22)28/h5-6,11-14,16,19,30H,7-10,15H2,1-4H3
InChIKeyTYLLVMPQVFYETO-UHFFFAOYSA-N
MW446.57 g/mol
LogP6.48
Rot. Bonds5

About 3-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-5-methyl-1,2-oxazole

3-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-5-methyl-1,2-oxazole (PubChem CID 134329236) has the molecular formula C27H31FN4O and a molecular weight of 446.57 g/mol. Its IUPAC name is 3-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-5-methyl-1,2-oxazole
PubChem CID134329236
Molecular FormulaC27H31FN4O
Molecular Weight446.57 g/mol
Exact Mass446.25
IUPAC Name3-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(Cc5cc(C)on5)CC4)cc3c2C(C)C)c(F)cn1
InChIInChI=1S/C27H31FN4O/c1-16(2)26-23-13-20(19-7-9-32(10-8-19)15-21-12-18(4)33-31-21)5-6-25(23)30-27(26)22-11-17(3)29-14-24(22)28/h5-6,11-14,16,19,30H,7-10,15H2,1-4H3
InChIKeyTYLLVMPQVFYETO-UHFFFAOYSA-N
XLogP6.48
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.57
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-5-methyl-1,2-oxazole (CID 134329236) is 3-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-5-methyl-1,2-oxazole is Cc1cc(-c2[nH]c3ccc(C4CCN(Cc5cc(C)on5)CC4)cc3c2C(C)C)c(F)cn1.
What is the InChIKey of 3-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-5-methyl-1,2-oxazole?
The InChIKey is TYLLVMPQVFYETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN4O/c1-16(2)26-23-13-20(19-7-9-32(10-8-19)15-21-12-18(4)33-31-21)5-6-25(23)30-27(26)22-11-17(3)29-14-24(22)28/h5-6,11-14,16,19,30H,7-10,15H2,1-4H3.
What are the key properties of 3-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-5-methyl-1,2-oxazole?
3-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-5-methyl-1,2-oxazole has a molecular weight of 446.57 g/mol, XLogP of 6.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 134329236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).