1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-methylpyrrolidin-3-amine

C12H15BrN4 — CID 141399742

IUPAC1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-methylpyrrolidin-3-amine
SMILESCC1(N)CCN(c2c(Br)cnc3[nH]ccc23)C1
InChIInChI=1S/C12H15BrN4/c1-12(14)3-5-17(7-12)10-8-2-4-15-11(8)16-6-9(10)13/h2,4,6H,3,5,7,14H2,1H3,(H,15,16)
InChIKeyNQGGKRKGFVCRBG-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.25
Rot. Bonds1

About 1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-methylpyrrolidin-3-amine

1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-methylpyrrolidin-3-amine (PubChem CID 141399742) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is 1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-methylpyrrolidin-3-amine
PubChem CID141399742
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-methylpyrrolidin-3-amine
SMILESCC1(N)CCN(c2c(Br)cnc3[nH]ccc23)C1
InChIInChI=1S/C12H15BrN4/c1-12(14)3-5-17(7-12)10-8-2-4-15-11(8)16-6-9(10)13/h2,4,6H,3,5,7,14H2,1H3,(H,15,16)
InChIKeyNQGGKRKGFVCRBG-UHFFFAOYSA-N
XLogP2.25
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-amine
CID 163913294
1-[4-(3-amino-3-methylpyrrolidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2H-pyridine-3-carboxylic acid
CID 150261897
2-amino-1-[4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]-2-cyclohexylethanone
CID 68762031
(2S)-1-[4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]-2-(4-chlorophenyl)propan-1-one
CID 174623019
N-[4-(3-amino-3-methylpiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methoxyacetamide
CID 58195557
1-[4-amino-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]ethanone
CID 176575619
4-[4-methyl-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 167866922
1-[(2S)-2-(4-bromophenyl)-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]propan-1-one
CID 174623029
4-(3-ethyl-3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 139004861
(1R)-1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)ethanamine
CID 131183370
N-[(3R)-3-methyl-1-prop-2-enylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 151798997
7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
CID 155953699

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-methylpyrrolidin-3-amine?
The IUPAC name of 1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-methylpyrrolidin-3-amine (CID 141399742) is 1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-methylpyrrolidin-3-amine?
The canonical SMILES for 1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-methylpyrrolidin-3-amine is CC1(N)CCN(c2c(Br)cnc3[nH]ccc23)C1.
What is the InChIKey of 1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-methylpyrrolidin-3-amine?
The InChIKey is NQGGKRKGFVCRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c1-12(14)3-5-17(7-12)10-8-2-4-15-11(8)16-6-9(10)13/h2,4,6H,3,5,7,14H2,1H3,(H,15,16).
What are the key properties of 1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-methylpyrrolidin-3-amine?
1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-methylpyrrolidin-3-amine has a molecular weight of 295.18 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-methylpyrrolidin-3-amine is sourced from PubChem (CID 141399742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).