2-tert-butyl-1-[2-methyl-2-(1-methylpyrrolo[3,2-b]pyridin-2-yl)propyl]pyrrolo[3,2-b]pyridin-5-amine

C23H29N5 — CID 174362087

IUPAC2-tert-butyl-1-[2-methyl-2-(1-methylpyrrolo[3,2-b]pyridin-2-yl)propyl]pyrrolo[3,2-b]pyridin-5-amine
SMILESCn1c(C(C)(C)Cn2c(C(C)(C)C)cc3nc(N)ccc32)cc2ncccc21
InChIInChI=1S/C23H29N5/c1-22(2,3)19-13-16-18(9-10-21(24)26-16)28(19)14-23(4,5)20-12-15-17(27(20)6)8-7-11-25-15/h7-13H,14H2,1-6H3,(H2,24,26)
InChIKeyGTHMOKWMWQZUNA-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.78
Rot. Bonds3

About 2-tert-butyl-1-[2-methyl-2-(1-methylpyrrolo[3,2-b]pyridin-2-yl)propyl]pyrrolo[3,2-b]pyridin-5-amine

2-tert-butyl-1-[2-methyl-2-(1-methylpyrrolo[3,2-b]pyridin-2-yl)propyl]pyrrolo[3,2-b]pyridin-5-amine (PubChem CID 174362087) has the molecular formula C23H29N5 and a molecular weight of 375.52 g/mol. Its IUPAC name is 2-tert-butyl-1-[2-methyl-2-(1-methylpyrrolo[3,2-b]pyridin-2-yl)propyl]pyrrolo[3,2-b]pyridin-5-amine.

Molecular Properties

Compound Name2-tert-butyl-1-[2-methyl-2-(1-methylpyrrolo[3,2-b]pyridin-2-yl)propyl]pyrrolo[3,2-b]pyridin-5-amine
PubChem CID174362087
Molecular FormulaC23H29N5
Molecular Weight375.52 g/mol
Exact Mass375.24
IUPAC Name2-tert-butyl-1-[2-methyl-2-(1-methylpyrrolo[3,2-b]pyridin-2-yl)propyl]pyrrolo[3,2-b]pyridin-5-amine
SMILESCn1c(C(C)(C)Cn2c(C(C)(C)C)cc3nc(N)ccc32)cc2ncccc21
InChIInChI=1S/C23H29N5/c1-22(2,3)19-13-16-18(9-10-21(24)26-16)28(19)14-23(4,5)20-12-15-17(27(20)6)8-7-11-25-15/h7-13H,14H2,1-6H3,(H2,24,26)
InChIKeyGTHMOKWMWQZUNA-UHFFFAOYSA-N
XLogP4.78
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

bis(2-tert-butyl-4-chloro-1-methylpyrrolo[3,2-c]pyridine);2-tert-butyl-4-chloro-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine;bis(2-tert-butyl-1,4-dimethylpyrrolo[3,2-c]pyridine);bis(2-tert-butyl-1,7-dimethylpyrrolo[3,2-c]pyridine);bis(2-tert-butyl-1-methylpyrrolo[3,2-b]pyridin-5-amine);bis(2-tert-butyl-1-methylpyrrolo[3,2-b]pyridine);tetrakis(2-tert-butyl-1-methylpyrrolo[3,2-c]pyridine);2-tert-butyl-4-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-7-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;bis(2-tert-butyl-1H-pyrrolo[3,2-c]pyridine)
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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[2-methyl-2-(1-methylpyrrolo[3,2-b]pyridin-2-yl)propyl]pyrrolo[3,2-b]pyridin-5-amine?
The IUPAC name of 2-tert-butyl-1-[2-methyl-2-(1-methylpyrrolo[3,2-b]pyridin-2-yl)propyl]pyrrolo[3,2-b]pyridin-5-amine (CID 174362087) is 2-tert-butyl-1-[2-methyl-2-(1-methylpyrrolo[3,2-b]pyridin-2-yl)propyl]pyrrolo[3,2-b]pyridin-5-amine.
What is the SMILES notation for 2-tert-butyl-1-[2-methyl-2-(1-methylpyrrolo[3,2-b]pyridin-2-yl)propyl]pyrrolo[3,2-b]pyridin-5-amine?
The canonical SMILES for 2-tert-butyl-1-[2-methyl-2-(1-methylpyrrolo[3,2-b]pyridin-2-yl)propyl]pyrrolo[3,2-b]pyridin-5-amine is Cn1c(C(C)(C)Cn2c(C(C)(C)C)cc3nc(N)ccc32)cc2ncccc21.
What is the InChIKey of 2-tert-butyl-1-[2-methyl-2-(1-methylpyrrolo[3,2-b]pyridin-2-yl)propyl]pyrrolo[3,2-b]pyridin-5-amine?
The InChIKey is GTHMOKWMWQZUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5/c1-22(2,3)19-13-16-18(9-10-21(24)26-16)28(19)14-23(4,5)20-12-15-17(27(20)6)8-7-11-25-15/h7-13H,14H2,1-6H3,(H2,24,26).
What are the key properties of 2-tert-butyl-1-[2-methyl-2-(1-methylpyrrolo[3,2-b]pyridin-2-yl)propyl]pyrrolo[3,2-b]pyridin-5-amine?
2-tert-butyl-1-[2-methyl-2-(1-methylpyrrolo[3,2-b]pyridin-2-yl)propyl]pyrrolo[3,2-b]pyridin-5-amine has a molecular weight of 375.52 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[2-methyl-2-(1-methylpyrrolo[3,2-b]pyridin-2-yl)propyl]pyrrolo[3,2-b]pyridin-5-amine is sourced from PubChem (CID 174362087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).