tert-butyl N-[7-cyclopropyl-1-(6-methyl-3-pyridinyl)-1H-inden-5-yl]carbamate

C23H26N2O2 — CID 134411641

IUPACtert-butyl N-[7-cyclopropyl-1-(6-methyl-3-pyridinyl)-1H-inden-5-yl]carbamate
SMILESCc1ccc(C2C=Cc3cc(NC(=O)OC(C)(C)C)cc(C4CC4)c32)cn1
InChIInChI=1S/C23H26N2O2/c1-14-5-6-17(13-24-14)19-10-9-16-11-18(25-22(26)27-23(2,3)4)12-20(21(16)19)15-7-8-15/h5-6,9-13,15,19H,7-8H2,1-4H3,(H,25,26)
InChIKeyWJQYQJIMPGUWEH-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.77
Rot. Bonds3

About tert-butyl N-[7-cyclopropyl-1-(6-methyl-3-pyridinyl)-1H-inden-5-yl]carbamate

tert-butyl N-[7-cyclopropyl-1-(6-methyl-3-pyridinyl)-1H-inden-5-yl]carbamate (PubChem CID 134411641) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is tert-butyl N-[7-cyclopropyl-1-(6-methyl-3-pyridinyl)-1H-inden-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[7-cyclopropyl-1-(6-methyl-3-pyridinyl)-1H-inden-5-yl]carbamate
PubChem CID134411641
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Nametert-butyl N-[7-cyclopropyl-1-(6-methyl-3-pyridinyl)-1H-inden-5-yl]carbamate
SMILESCc1ccc(C2C=Cc3cc(NC(=O)OC(C)(C)C)cc(C4CC4)c32)cn1
InChIInChI=1S/C23H26N2O2/c1-14-5-6-17(13-24-14)19-10-9-16-11-18(25-22(26)27-23(2,3)4)12-20(21(16)19)15-7-8-15/h5-6,9-13,15,19H,7-8H2,1-4H3,(H,25,26)
InChIKeyWJQYQJIMPGUWEH-UHFFFAOYSA-N
XLogP5.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[7-cyclopropyl-1-(6-methyl-3-pyridinyl)-1H-inden-5-yl]carbamate?
The IUPAC name of tert-butyl N-[7-cyclopropyl-1-(6-methyl-3-pyridinyl)-1H-inden-5-yl]carbamate (CID 134411641) is tert-butyl N-[7-cyclopropyl-1-(6-methyl-3-pyridinyl)-1H-inden-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[7-cyclopropyl-1-(6-methyl-3-pyridinyl)-1H-inden-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[7-cyclopropyl-1-(6-methyl-3-pyridinyl)-1H-inden-5-yl]carbamate is Cc1ccc(C2C=Cc3cc(NC(=O)OC(C)(C)C)cc(C4CC4)c32)cn1.
What is the InChIKey of tert-butyl N-[7-cyclopropyl-1-(6-methyl-3-pyridinyl)-1H-inden-5-yl]carbamate?
The InChIKey is WJQYQJIMPGUWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-14-5-6-17(13-24-14)19-10-9-16-11-18(25-22(26)27-23(2,3)4)12-20(21(16)19)15-7-8-15/h5-6,9-13,15,19H,7-8H2,1-4H3,(H,25,26).
What are the key properties of tert-butyl N-[7-cyclopropyl-1-(6-methyl-3-pyridinyl)-1H-inden-5-yl]carbamate?
tert-butyl N-[7-cyclopropyl-1-(6-methyl-3-pyridinyl)-1H-inden-5-yl]carbamate has a molecular weight of 362.47 g/mol, XLogP of 5.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[7-cyclopropyl-1-(6-methyl-3-pyridinyl)-1H-inden-5-yl]carbamate is sourced from PubChem (CID 134411641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).