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

C16H22BrN5O — CID 141399722

IUPAC(3R)-1-(5-bromo-3-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-amine
SMILESN[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(N4CCOCC4)c23)C1
InChIInChI=1S/C16H22BrN5O/c17-12-8-19-16-14(15(12)22-3-1-2-11(18)10-22)13(9-20-16)21-4-6-23-7-5-21/h8-9,11H,1-7,10,18H2,(H,19,20)/t11-/m1/s1
InChIKeyYNJFKSRHQAHPDV-LLVKDONJSA-N
MW380.29 g/mol
LogP2.09
Rot. Bonds2

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

(3R)-1-(5-bromo-3-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-amine (PubChem CID 141399722) has the molecular formula C16H22BrN5O and a molecular weight of 380.29 g/mol. Its IUPAC name is (3R)-1-(5-bromo-3-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(5-bromo-3-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-amine
PubChem CID141399722
Molecular FormulaC16H22BrN5O
Molecular Weight380.29 g/mol
Exact Mass379.10
IUPAC Name(3R)-1-(5-bromo-3-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-amine
SMILESN[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(N4CCOCC4)c23)C1
InChIInChI=1S/C16H22BrN5O/c17-12-8-19-16-14(15(12)22-3-1-2-11(18)10-22)13(9-20-16)21-4-6-23-7-5-21/h8-9,11H,1-7,10,18H2,(H,19,20)/t11-/m1/s1
InChIKeyYNJFKSRHQAHPDV-LLVKDONJSA-N
XLogP2.09
TPSA70.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[5-bromo-3-(2H-pyrimidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-3-amine
CID 141399708
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclobutanecarboxamide
CID 44515341
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;dihydrochloride
CID 131749450
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclobutanecarboxamide;hydrochloride
CID 67045502
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-fluoropropanamide;hydrochloride
CID 67045283
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylacetamide;hydrochloride
CID 67045974
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;(E)-but-2-enedioic acid
CID 122506491
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;hydrochloride
CID 67045751
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;ethanesulfonic acid
CID 122506484
N-[4-(3-aminopiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-propan-2-yloxyacetamide
CID 71257264
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;ethanesulfonic acid;hydrate
CID 172744353
N-[4-(3-aminopiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylcyclopropane-1-carboxamide;hydrochloride
CID 67045549

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-bromo-3-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-amine?
The IUPAC name of (3R)-1-(5-bromo-3-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-amine (CID 141399722) is (3R)-1-(5-bromo-3-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-amine.
What is the SMILES notation for (3R)-1-(5-bromo-3-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-amine?
The canonical SMILES for (3R)-1-(5-bromo-3-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-amine is N[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(N4CCOCC4)c23)C1.
What is the InChIKey of (3R)-1-(5-bromo-3-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-amine?
The InChIKey is YNJFKSRHQAHPDV-LLVKDONJSA-N. The full InChI is InChI=1S/C16H22BrN5O/c17-12-8-19-16-14(15(12)22-3-1-2-11(18)10-22)13(9-20-16)21-4-6-23-7-5-21/h8-9,11H,1-7,10,18H2,(H,19,20)/t11-/m1/s1.
What are the key properties of (3R)-1-(5-bromo-3-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-amine?
(3R)-1-(5-bromo-3-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-amine has a molecular weight of 380.29 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-bromo-3-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-amine is sourced from PubChem (CID 141399722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).