2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]-1H-indole

C25H31N7 — CID 134329282

IUPAC2-(2,6-dimethyl-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)cc(C)n1
InChIInChI=1S/C25H31N7/c1-15(2)24-21-13-19(18-7-9-32(10-8-18)14-23-28-30-31-29-23)5-6-22(21)27-25(24)20-11-16(3)26-17(4)12-20/h5-6,11-13,15,18,27H,7-10,14H2,1-4H3,(H,28,29,30,31)
InChIKeyMNKYYBJJCVKOMC-UHFFFAOYSA-N
MW429.57 g/mol
LogP4.86
Rot. Bonds5

About 2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]-1H-indole

2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]-1H-indole (PubChem CID 134329282) has the molecular formula C25H31N7 and a molecular weight of 429.57 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]-1H-indole.

Molecular Properties

Compound Name2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]-1H-indole
PubChem CID134329282
Molecular FormulaC25H31N7
Molecular Weight429.57 g/mol
Exact Mass429.26
IUPAC Name2-(2,6-dimethyl-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)cc(C)n1
InChIInChI=1S/C25H31N7/c1-15(2)24-21-13-19(18-7-9-32(10-8-18)14-23-28-30-31-29-23)5-6-22(21)27-25(24)20-11-16(3)26-17(4)12-20/h5-6,11-13,15,18,27H,7-10,14H2,1-4H3,(H,28,29,30,31)
InChIKeyMNKYYBJJCVKOMC-UHFFFAOYSA-N
XLogP4.86
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]-1H-indole?
The IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]-1H-indole (CID 134329282) is 2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]-1H-indole.
What is the SMILES notation for 2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]-1H-indole?
The canonical SMILES for 2-(2,6-dimethyl-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)cc(C)n1.
What is the InChIKey of 2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]-1H-indole?
The InChIKey is MNKYYBJJCVKOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7/c1-15(2)24-21-13-19(18-7-9-32(10-8-18)14-23-28-30-31-29-23)5-6-22(21)27-25(24)20-11-16(3)26-17(4)12-20/h5-6,11-13,15,18,27H,7-10,14H2,1-4H3,(H,28,29,30,31).
What are the key properties of 2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]-1H-indole?
2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]-1H-indole has a molecular weight of 429.57 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]-1H-indole is sourced from PubChem (CID 134329282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).