1,4-ditert-butylpyrrolo[3,2-c]pyridine

C15H22N2 — CID 118391024

IUPAC1,4-ditert-butylpyrrolo[3,2-c]pyridine
SMILESCC(C)(C)c1nccc2c1ccn2C(C)(C)C
InChIInChI=1S/C15H22N2/c1-14(2,3)13-11-8-10-17(15(4,5)6)12(11)7-9-16-13/h7-10H,1-6H3
InChIKeyWBSGTRQHTBUVIP-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.09
Rot. Bonds

About 1,4-ditert-butylpyrrolo[3,2-c]pyridine

1,4-ditert-butylpyrrolo[3,2-c]pyridine (PubChem CID 118391024) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1,4-ditert-butylpyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name1,4-ditert-butylpyrrolo[3,2-c]pyridine
PubChem CID118391024
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name1,4-ditert-butylpyrrolo[3,2-c]pyridine
SMILESCC(C)(C)c1nccc2c1ccn2C(C)(C)C
InChIInChI=1S/C15H22N2/c1-14(2,3)13-11-8-10-17(15(4,5)6)12(11)7-9-16-13/h7-10H,1-6H3
InChIKeyWBSGTRQHTBUVIP-UHFFFAOYSA-N
XLogP4.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butylindol-4-ol
CID 135393981
1-tert-butyl-4-ethylpyrrolo[2,3-b]pyridine
CID 129128725
4-tert-butyl-1,3-dimethylpyrrolo[3,2-c]pyridine
CID 91219578
1-tert-butylindole-4-carboxylic acid
CID 68840218
5-tert-butylpyrrolo[3,2-d]pyrimidine
CID 59421534
1-tert-butylpyrrolo[2,3-c]pyridin-7-amine
CID 169302613
7-tert-butyl-4-methylsulfanylpyrrolo[2,3-d]pyrimidine
CID 70800295
7-tert-butyl-2,4-dimethylpyrrolo[2,3-d]pyrimidine
CID 140735408
12-tert-butyl-6-methyl-10,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),12,14-octaene
CID 70651807
2-tert-butyl-1,4-dimethylpyrrolo[3,2-c]pyridine
CID 158530383
2-tert-butyl-3-ethynylpyrazine
CID 140669762
2-tert-butyl-7,7-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene
CID 146389257

Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butylpyrrolo[3,2-c]pyridine?
The IUPAC name of 1,4-ditert-butylpyrrolo[3,2-c]pyridine (CID 118391024) is 1,4-ditert-butylpyrrolo[3,2-c]pyridine.
What is the SMILES notation for 1,4-ditert-butylpyrrolo[3,2-c]pyridine?
The canonical SMILES for 1,4-ditert-butylpyrrolo[3,2-c]pyridine is CC(C)(C)c1nccc2c1ccn2C(C)(C)C.
What is the InChIKey of 1,4-ditert-butylpyrrolo[3,2-c]pyridine?
The InChIKey is WBSGTRQHTBUVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-14(2,3)13-11-8-10-17(15(4,5)6)12(11)7-9-16-13/h7-10H,1-6H3.
What are the key properties of 1,4-ditert-butylpyrrolo[3,2-c]pyridine?
1,4-ditert-butylpyrrolo[3,2-c]pyridine has a molecular weight of 230.35 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butylpyrrolo[3,2-c]pyridine is sourced from PubChem (CID 118391024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).