2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]-1H-indole

C24H28FN7 — CID 134329399

IUPAC2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]-1H-indole
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(Cc5nn[nH]n5)CC4)cc3c2C(C)C)c(F)cn1
InChIInChI=1S/C24H28FN7/c1-14(2)23-19-11-17(16-6-8-32(9-7-16)13-22-28-30-31-29-22)4-5-21(19)27-24(23)18-10-15(3)26-12-20(18)25/h4-5,10-12,14,16,27H,6-9,13H2,1-3H3,(H,28,29,30,31)
InChIKeyJZYLWSYUCYZXHD-UHFFFAOYSA-N
MW433.54 g/mol
LogP4.69
Rot. Bonds5

About 2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]-1H-indole

2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]-1H-indole (PubChem CID 134329399) has the molecular formula C24H28FN7 and a molecular weight of 433.54 g/mol. Its IUPAC name is 2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]-1H-indole.

Molecular Properties

Compound Name2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]-1H-indole
PubChem CID134329399
Molecular FormulaC24H28FN7
Molecular Weight433.54 g/mol
Exact Mass433.24
IUPAC Name2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]-1H-indole
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(Cc5nn[nH]n5)CC4)cc3c2C(C)C)c(F)cn1
InChIInChI=1S/C24H28FN7/c1-14(2)23-19-11-17(16-6-8-32(9-7-16)13-22-28-30-31-29-22)4-5-21(19)27-24(23)18-10-15(3)26-12-20(18)25/h4-5,10-12,14,16,27H,6-9,13H2,1-3H3,(H,28,29,30,31)
InChIKeyJZYLWSYUCYZXHD-UHFFFAOYSA-N
XLogP4.69
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]-1H-indole?
The IUPAC name of 2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]-1H-indole (CID 134329399) is 2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]-1H-indole.
What is the SMILES notation for 2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]-1H-indole?
The canonical SMILES for 2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]-1H-indole is Cc1cc(-c2[nH]c3ccc(C4CCN(Cc5nn[nH]n5)CC4)cc3c2C(C)C)c(F)cn1.
What is the InChIKey of 2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]-1H-indole?
The InChIKey is JZYLWSYUCYZXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN7/c1-14(2)23-19-11-17(16-6-8-32(9-7-16)13-22-28-30-31-29-22)4-5-21(19)27-24(23)18-10-15(3)26-12-20(18)25/h4-5,10-12,14,16,27H,6-9,13H2,1-3H3,(H,28,29,30,31).
What are the key properties of 2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]-1H-indole?
2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]-1H-indole has a molecular weight of 433.54 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]-1H-indole is sourced from PubChem (CID 134329399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).