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

C22H25N3O2 — CID 86720020

IUPACtert-butyl N-[7-cyclopropyl-1-(6-methyl-3-pyridinyl)indol-5-yl]carbamate
SMILESCc1ccc(-n2ccc3cc(NC(=O)OC(C)(C)C)cc(C4CC4)c32)cn1
InChIInChI=1S/C22H25N3O2/c1-14-5-8-18(13-23-14)25-10-9-16-11-17(24-21(26)27-22(2,3)4)12-19(20(16)25)15-6-7-15/h5,8-13,15H,6-7H2,1-4H3,(H,24,26)
InChIKeyMNPRERRLIBXTOT-UHFFFAOYSA-N
MW363.46 g/mol
LogP5.56
Rot. Bonds3

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

tert-butyl N-[7-cyclopropyl-1-(6-methyl-3-pyridinyl)indol-5-yl]carbamate (PubChem CID 86720020) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is tert-butyl N-[7-cyclopropyl-1-(6-methyl-3-pyridinyl)indol-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[7-cyclopropyl-1-(6-methyl-3-pyridinyl)indol-5-yl]carbamate
PubChem CID86720020
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Nametert-butyl N-[7-cyclopropyl-1-(6-methyl-3-pyridinyl)indol-5-yl]carbamate
SMILESCc1ccc(-n2ccc3cc(NC(=O)OC(C)(C)C)cc(C4CC4)c32)cn1
InChIInChI=1S/C22H25N3O2/c1-14-5-8-18(13-23-14)25-10-9-16-11-17(24-21(26)27-22(2,3)4)12-19(20(16)25)15-6-7-15/h5,8-13,15H,6-7H2,1-4H3,(H,24,26)
InChIKeyMNPRERRLIBXTOT-UHFFFAOYSA-N
XLogP5.56
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[7-cyclopropyl-1-(6-methyl-3-pyridinyl)indol-5-yl]carbamate?
The IUPAC name of tert-butyl N-[7-cyclopropyl-1-(6-methyl-3-pyridinyl)indol-5-yl]carbamate (CID 86720020) is tert-butyl N-[7-cyclopropyl-1-(6-methyl-3-pyridinyl)indol-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[7-cyclopropyl-1-(6-methyl-3-pyridinyl)indol-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[7-cyclopropyl-1-(6-methyl-3-pyridinyl)indol-5-yl]carbamate is Cc1ccc(-n2ccc3cc(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)indol-5-yl]carbamate?
The InChIKey is MNPRERRLIBXTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-14-5-8-18(13-23-14)25-10-9-16-11-17(24-21(26)27-22(2,3)4)12-19(20(16)25)15-6-7-15/h5,8-13,15H,6-7H2,1-4H3,(H,24,26).
What are the key properties of tert-butyl N-[7-cyclopropyl-1-(6-methyl-3-pyridinyl)indol-5-yl]carbamate?
tert-butyl N-[7-cyclopropyl-1-(6-methyl-3-pyridinyl)indol-5-yl]carbamate has a molecular weight of 363.46 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[7-cyclopropyl-1-(6-methyl-3-pyridinyl)indol-5-yl]carbamate is sourced from PubChem (CID 86720020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).