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

C26H29FN4O — CID 134329934

IUPAC2-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(Cc5ncco5)CC4)cc3c2C(C)C)c(F)cn1
InChIInChI=1S/C26H29FN4O/c1-16(2)25-21-13-19(18-6-9-31(10-7-18)15-24-28-8-11-32-24)4-5-23(21)30-26(25)20-12-17(3)29-14-22(20)27/h4-5,8,11-14,16,18,30H,6-7,9-10,15H2,1-3H3
InChIKeyYJLMFKUUIVHTNT-UHFFFAOYSA-N
MW432.54 g/mol
LogP6.17
Rot. Bonds5

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

2-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole (PubChem CID 134329934) has the molecular formula C26H29FN4O and a molecular weight of 432.54 g/mol. Its IUPAC name is 2-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole
PubChem CID134329934
Molecular FormulaC26H29FN4O
Molecular Weight432.54 g/mol
Exact Mass432.23
IUPAC Name2-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(Cc5ncco5)CC4)cc3c2C(C)C)c(F)cn1
InChIInChI=1S/C26H29FN4O/c1-16(2)25-21-13-19(18-6-9-31(10-7-18)15-24-28-8-11-32-24)4-5-23(21)30-26(25)20-12-17(3)29-14-22(20)27/h4-5,8,11-14,16,18,30H,6-7,9-10,15H2,1-3H3
InChIKeyYJLMFKUUIVHTNT-UHFFFAOYSA-N
XLogP6.17
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.54
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole (CID 134329934) is 2-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole is Cc1cc(-c2[nH]c3ccc(C4CCN(Cc5ncco5)CC4)cc3c2C(C)C)c(F)cn1.
What is the InChIKey of 2-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is YJLMFKUUIVHTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O/c1-16(2)25-21-13-19(18-6-9-31(10-7-18)15-24-28-8-11-32-24)4-5-23(21)30-26(25)20-12-17(3)29-14-22(20)27/h4-5,8,11-14,16,18,30H,6-7,9-10,15H2,1-3H3.
What are the key properties of 2-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole?
2-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 432.54 g/mol, XLogP of 6.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 134329934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).