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

C11H13BrN4 — CID 163913294

IUPAC(3R)-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-amine
SMILESN[C@@H]1CCN(c2c(Br)cnc3[nH]ccc23)C1
InChIInChI=1S/C11H13BrN4/c12-9-5-15-11-8(1-3-14-11)10(9)16-4-2-7(13)6-16/h1,3,5,7H,2,4,6,13H2,(H,14,15)/t7-/m1/s1
InChIKeyQUBHKEYQHDCZMM-SSDOTTSWSA-N
MW281.16 g/mol
LogP1.86
Rot. Bonds1

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

(3R)-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-amine (PubChem CID 163913294) has the molecular formula C11H13BrN4 and a molecular weight of 281.16 g/mol. Its IUPAC name is (3R)-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-amine
PubChem CID163913294
Molecular FormulaC11H13BrN4
Molecular Weight281.16 g/mol
Exact Mass280.03
IUPAC Name(3R)-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-amine
SMILESN[C@@H]1CCN(c2c(Br)cnc3[nH]ccc23)C1
InChIInChI=1S/C11H13BrN4/c12-9-5-15-11-8(1-3-14-11)10(9)16-4-2-7(13)6-16/h1,3,5,7H,2,4,6,13H2,(H,14,15)/t7-/m1/s1
InChIKeyQUBHKEYQHDCZMM-SSDOTTSWSA-N
XLogP1.86
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-methylpyrrolidin-3-amine
CID 141399742
2-amino-1-[4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]-2-cyclohexylethanone
CID 68762031
1-(5,7,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,9,11-hexaen-13-yl)pyrrolidin-3-amine
CID 90079689
1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)piperidin-3-amine
CID 141448207
N-[4-[(3R)-3-aminopyrrolidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;hydrochloride
CID 67045272
(3S)-1-(3-bromo-4-pyridinyl)pyrrolidin-3-amine
CID 124595065
(3R)-1-(5-bromo-3-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-amine
CID 141399722
1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 146014294
(2S)-1-[4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]-2-(4-chlorophenyl)propan-1-one
CID 174623019
5-bromo-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 155253895
N,N-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 138993786
1-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]azetidin-3-ol
CID 167818943

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-amine?
The IUPAC name of (3R)-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-amine (CID 163913294) is (3R)-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-amine is N[C@@H]1CCN(c2c(Br)cnc3[nH]ccc23)C1.
What is the InChIKey of (3R)-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-amine?
The InChIKey is QUBHKEYQHDCZMM-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13BrN4/c12-9-5-15-11-8(1-3-14-11)10(9)16-4-2-7(13)6-16/h1,3,5,7H,2,4,6,13H2,(H,14,15)/t7-/m1/s1.
What are the key properties of (3R)-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-amine?
(3R)-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-amine has a molecular weight of 281.16 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 163913294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).