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

C16H19BrN6 — CID 141399708

IUPAC(3R)-1-[5-bromo-3-(2H-pyrimidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-3-amine
SMILESN[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(N4C=CC=NC4)c23)C1
InChIInChI=1S/C16H19BrN6/c17-12-7-20-16-14(15(12)22-5-1-3-11(18)9-22)13(8-21-16)23-6-2-4-19-10-23/h2,4,6-8,11H,1,3,5,9-10,18H2,(H,20,21)/t11-/m1/s1
InChIKeyUNEOWOUMIJIKRR-LLVKDONJSA-N
MW375.27 g/mol
LogP2.61
Rot. Bonds2

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

(3R)-1-[5-bromo-3-(2H-pyrimidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-3-amine (PubChem CID 141399708) has the molecular formula C16H19BrN6 and a molecular weight of 375.27 g/mol. Its IUPAC name is (3R)-1-[5-bromo-3-(2H-pyrimidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[5-bromo-3-(2H-pyrimidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-3-amine
PubChem CID141399708
Molecular FormulaC16H19BrN6
Molecular Weight375.27 g/mol
Exact Mass374.09
IUPAC Name(3R)-1-[5-bromo-3-(2H-pyrimidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-3-amine
SMILESN[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(N4C=CC=NC4)c23)C1
InChIInChI=1S/C16H19BrN6/c17-12-7-20-16-14(15(12)22-5-1-3-11(18)9-22)13(8-21-16)23-6-2-4-19-10-23/h2,4,6-8,11H,1,3,5,9-10,18H2,(H,20,21)/t11-/m1/s1
InChIKeyUNEOWOUMIJIKRR-LLVKDONJSA-N
XLogP2.61
TPSA73.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(5-bromo-3-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-amine
CID 141399722
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
CID 44515341
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]-2-phenylacetamide;hydrochloride
CID 67045974
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]-1-(trifluoromethyl)cyclopropane-1-carboxamide;hydrochloride
CID 67045751
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;(E)-but-2-enedioic acid
CID 122506491
N-[4-(3-aminopiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylcyclopropane-1-carboxamide;hydrochloride
CID 67045549
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;ethanesulfonic acid
CID 122506484
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;ethanesulfonic acid;hydrate
CID 172744353

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[5-bromo-3-(2H-pyrimidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-3-amine?
The IUPAC name of (3R)-1-[5-bromo-3-(2H-pyrimidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-3-amine (CID 141399708) is (3R)-1-[5-bromo-3-(2H-pyrimidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-3-amine.
What is the SMILES notation for (3R)-1-[5-bromo-3-(2H-pyrimidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-3-amine?
The canonical SMILES for (3R)-1-[5-bromo-3-(2H-pyrimidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-3-amine is N[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(N4C=CC=NC4)c23)C1.
What is the InChIKey of (3R)-1-[5-bromo-3-(2H-pyrimidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-3-amine?
The InChIKey is UNEOWOUMIJIKRR-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19BrN6/c17-12-7-20-16-14(15(12)22-5-1-3-11(18)9-22)13(8-21-16)23-6-2-4-19-10-23/h2,4,6-8,11H,1,3,5,9-10,18H2,(H,20,21)/t11-/m1/s1.
What are the key properties of (3R)-1-[5-bromo-3-(2H-pyrimidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-3-amine?
(3R)-1-[5-bromo-3-(2H-pyrimidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-3-amine has a molecular weight of 375.27 g/mol, XLogP of 2.61, 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-(2H-pyrimidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-3-amine is sourced from PubChem (CID 141399708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).