1-(4-butan-2-yl-2-pyridinyl)-5-(2-methylpentan-3-yl)pyrrolo[3,2-b]pyridine

C22H29N3 — CID 58162076

IUPAC1-(4-butan-2-yl-2-pyridinyl)-5-(2-methylpentan-3-yl)pyrrolo[3,2-b]pyridine
SMILESCCC(C)c1ccnc(-n2ccc3nc(C(CC)C(C)C)ccc32)c1
InChIInChI=1S/C22H29N3/c1-6-16(5)17-10-12-23-22(14-17)25-13-11-20-21(25)9-8-19(24-20)18(7-2)15(3)4/h8-16,18H,6-7H2,1-5H3
InChIKeyZDPABEDXJJUEDL-UHFFFAOYSA-N
MW335.50 g/mol
LogP6.08
Rot. Bonds6

About 1-(4-butan-2-yl-2-pyridinyl)-5-(2-methylpentan-3-yl)pyrrolo[3,2-b]pyridine

1-(4-butan-2-yl-2-pyridinyl)-5-(2-methylpentan-3-yl)pyrrolo[3,2-b]pyridine (PubChem CID 58162076) has the molecular formula C22H29N3 and a molecular weight of 335.50 g/mol. Its IUPAC name is 1-(4-butan-2-yl-2-pyridinyl)-5-(2-methylpentan-3-yl)pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-(4-butan-2-yl-2-pyridinyl)-5-(2-methylpentan-3-yl)pyrrolo[3,2-b]pyridine
PubChem CID58162076
Molecular FormulaC22H29N3
Molecular Weight335.50 g/mol
Exact Mass335.24
IUPAC Name1-(4-butan-2-yl-2-pyridinyl)-5-(2-methylpentan-3-yl)pyrrolo[3,2-b]pyridine
SMILESCCC(C)c1ccnc(-n2ccc3nc(C(CC)C(C)C)ccc32)c1
InChIInChI=1S/C22H29N3/c1-6-16(5)17-10-12-23-22(14-17)25-13-11-20-21(25)9-8-19(24-20)18(7-2)15(3)4/h8-16,18H,6-7H2,1-5H3
InChIKeyZDPABEDXJJUEDL-UHFFFAOYSA-N
XLogP6.08
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.50
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-butan-2-yl-2-pyridinyl)-5-(2-methylpentan-3-yl)pyrrolo[3,2-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-butan-2-yl-1-pyridin-2-yl-2H-indol-2-ide;platinum
CID 58161906
3-(4-butan-2-yl-2-pyridinyl)-2,6-difluoropyridine
CID 58162175
(4-butan-2-yl-2-pyridinyl)methanol
CID 155375839
4-butan-2-yl-2-naphthalen-1-ylpyridine
CID 91469714
5-butan-2-yl-1-propan-2-ylindole
CID 135200251
5-butan-2-yl-1-methylindole;ethane
CID 143601269
7-butan-2-ylimidazo[1,2-a]pyridine
CID 123700933
5-butan-2-yl-2-pyridin-2-ylisoindole-1,3-dione
CID 144569853
4-butan-2-yl-1,2-dichlorobenzene
CID 22095706
4-[(2R)-butan-2-yl]-1,2-dichlorobenzene
CID 118120399
2,9-di(butan-2-yl)-1,7-phenanthroline
CID 118045073
6-butan-2-yl-N-methylquinolin-4-amine
CID 62190635

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-yl-2-pyridinyl)-5-(2-methylpentan-3-yl)pyrrolo[3,2-b]pyridine?
The IUPAC name of 1-(4-butan-2-yl-2-pyridinyl)-5-(2-methylpentan-3-yl)pyrrolo[3,2-b]pyridine (CID 58162076) is 1-(4-butan-2-yl-2-pyridinyl)-5-(2-methylpentan-3-yl)pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-(4-butan-2-yl-2-pyridinyl)-5-(2-methylpentan-3-yl)pyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-(4-butan-2-yl-2-pyridinyl)-5-(2-methylpentan-3-yl)pyrrolo[3,2-b]pyridine is CCC(C)c1ccnc(-n2ccc3nc(C(CC)C(C)C)ccc32)c1.
What is the InChIKey of 1-(4-butan-2-yl-2-pyridinyl)-5-(2-methylpentan-3-yl)pyrrolo[3,2-b]pyridine?
The InChIKey is ZDPABEDXJJUEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3/c1-6-16(5)17-10-12-23-22(14-17)25-13-11-20-21(25)9-8-19(24-20)18(7-2)15(3)4/h8-16,18H,6-7H2,1-5H3.
What are the key properties of 1-(4-butan-2-yl-2-pyridinyl)-5-(2-methylpentan-3-yl)pyrrolo[3,2-b]pyridine?
1-(4-butan-2-yl-2-pyridinyl)-5-(2-methylpentan-3-yl)pyrrolo[3,2-b]pyridine has a molecular weight of 335.50 g/mol, XLogP of 6.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-yl-2-pyridinyl)-5-(2-methylpentan-3-yl)pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 58162076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).