7-(6-tert-butyl-3-pyridinyl)-5H-pyrido[4,3-b]indole

C20H19N3 — CID 134488720

IUPAC7-(6-tert-butyl-3-pyridinyl)-5H-pyrido[4,3-b]indole
SMILESCC(C)(C)c1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1
InChIInChI=1S/C20H19N3/c1-20(2,3)19-7-5-14(11-22-19)13-4-6-15-16-12-21-9-8-17(16)23-18(15)10-13/h4-12,23H,1-3H3
InChIKeyDUJYVMXDGRTUQO-UHFFFAOYSA-N
MW301.39 g/mol
LogP5.08
Rot. Bonds1

About 7-(6-tert-butyl-3-pyridinyl)-5H-pyrido[4,3-b]indole

7-(6-tert-butyl-3-pyridinyl)-5H-pyrido[4,3-b]indole (PubChem CID 134488720) has the molecular formula C20H19N3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 7-(6-tert-butyl-3-pyridinyl)-5H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name7-(6-tert-butyl-3-pyridinyl)-5H-pyrido[4,3-b]indole
PubChem CID134488720
Molecular FormulaC20H19N3
Molecular Weight301.39 g/mol
Exact Mass301.16
IUPAC Name7-(6-tert-butyl-3-pyridinyl)-5H-pyrido[4,3-b]indole
SMILESCC(C)(C)c1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1
InChIInChI=1S/C20H19N3/c1-20(2,3)19-7-5-14(11-22-19)13-4-6-15-16-12-21-9-8-17(16)23-18(15)10-13/h4-12,23H,1-3H3
InChIKeyDUJYVMXDGRTUQO-UHFFFAOYSA-N
XLogP5.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.39
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(6-tert-butyl-3-pyridinyl)-5H-pyrido[4,3-b]indole?
The IUPAC name of 7-(6-tert-butyl-3-pyridinyl)-5H-pyrido[4,3-b]indole (CID 134488720) is 7-(6-tert-butyl-3-pyridinyl)-5H-pyrido[4,3-b]indole.
What is the SMILES notation for 7-(6-tert-butyl-3-pyridinyl)-5H-pyrido[4,3-b]indole?
The canonical SMILES for 7-(6-tert-butyl-3-pyridinyl)-5H-pyrido[4,3-b]indole is CC(C)(C)c1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1.
What is the InChIKey of 7-(6-tert-butyl-3-pyridinyl)-5H-pyrido[4,3-b]indole?
The InChIKey is DUJYVMXDGRTUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3/c1-20(2,3)19-7-5-14(11-22-19)13-4-6-15-16-12-21-9-8-17(16)23-18(15)10-13/h4-12,23H,1-3H3.
What are the key properties of 7-(6-tert-butyl-3-pyridinyl)-5H-pyrido[4,3-b]indole?
7-(6-tert-butyl-3-pyridinyl)-5H-pyrido[4,3-b]indole has a molecular weight of 301.39 g/mol, XLogP of 5.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-tert-butyl-3-pyridinyl)-5H-pyrido[4,3-b]indole is sourced from PubChem (CID 134488720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).