5-bromo-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-methoxy-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[3,2-b]pyridine;5-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine

C38H48BrN9O — CID 157083728

IUPAC5-bromo-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-methoxy-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[3,2-b]pyridine;5-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESBrc1cnc2[nH]c(C[C@H]3CCCN3)cc2c1.COc1ccc2[nH]c(C[C@H]3CCCN3)cc2n1.Cc1cnc2[nH]c(C[C@H]3CCCN3)cc2c1
InChIInChI=1S/C13H17N3O.C13H17N3.C12H14BrN3/c1-17-13-5-4-11-12(16-13)8-10(15-11)7-9-3-2-6-14-9;1-9-5-10-6-12(16-13(10)15-8-9)7-11-3-2-4-14-11;13-9-4-8-5-11(16-12(8)15-7-9)6-10-2-1-3-14-10/h4-5,8-9,14-15H,2-3,6-7H2,1H3;5-6,8,11,14H,2-4,7H2,1H3,(H,15,16);4-5,7,10,14H,1-3,6H2,(H,15,16)/t9-;11-;10-/m111/s1
InChIKeyADVRSECHBXIGLJ-JOLGQRDKSA-N
MW726.77 g/mol
LogP6.65
Rot. Bonds7

About 5-bromo-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-methoxy-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[3,2-b]pyridine;5-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine

5-bromo-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-methoxy-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[3,2-b]pyridine;5-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 157083728) has the molecular formula C38H48BrN9O and a molecular weight of 726.77 g/mol. Its IUPAC name is 5-bromo-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-methoxy-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[3,2-b]pyridine;5-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-methoxy-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[3,2-b]pyridine;5-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID157083728
Molecular FormulaC38H48BrN9O
Molecular Weight726.77 g/mol
Exact Mass725.32
IUPAC Name5-bromo-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-methoxy-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[3,2-b]pyridine;5-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESBrc1cnc2[nH]c(C[C@H]3CCCN3)cc2c1.COc1ccc2[nH]c(C[C@H]3CCCN3)cc2n1.Cc1cnc2[nH]c(C[C@H]3CCCN3)cc2c1
InChIInChI=1S/C13H17N3O.C13H17N3.C12H14BrN3/c1-17-13-5-4-11-12(16-13)8-10(15-11)7-9-3-2-6-14-9;1-9-5-10-6-12(16-13(10)15-8-9)7-11-3-2-4-14-11;13-9-4-8-5-11(16-12(8)15-7-9)6-10-2-1-3-14-10/h4-5,8-9,14-15H,2-3,6-7H2,1H3;5-6,8,11,14H,2-4,7H2,1H3,(H,15,16);4-5,7,10,14H,1-3,6H2,(H,15,16)/t9-;11-;10-/m111/s1
InChIKeyADVRSECHBXIGLJ-JOLGQRDKSA-N
XLogP6.65
TPSA131.36 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500726.77
LogP ≤ 56.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze 5-bromo-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-methoxy-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[3,2-b]pyridine;5-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-methoxy-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[3,2-b]pyridine;5-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-bromo-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-methoxy-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[3,2-b]pyridine;5-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine (CID 157083728) is 5-bromo-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-methoxy-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[3,2-b]pyridine;5-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-methoxy-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[3,2-b]pyridine;5-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-bromo-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-methoxy-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[3,2-b]pyridine;5-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine is Brc1cnc2[nH]c(C[C@H]3CCCN3)cc2c1.COc1ccc2[nH]c(C[C@H]3CCCN3)cc2n1.Cc1cnc2[nH]c(C[C@H]3CCCN3)cc2c1.
What is the InChIKey of 5-bromo-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-methoxy-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[3,2-b]pyridine;5-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ADVRSECHBXIGLJ-JOLGQRDKSA-N. The full InChI is InChI=1S/C13H17N3O.C13H17N3.C12H14BrN3/c1-17-13-5-4-11-12(16-13)8-10(15-11)7-9-3-2-6-14-9;1-9-5-10-6-12(16-13(10)15-8-9)7-11-3-2-4-14-11;13-9-4-8-5-11(16-12(8)15-7-9)6-10-2-1-3-14-10/h4-5,8-9,14-15H,2-3,6-7H2,1H3;5-6,8,11,14H,2-4,7H2,1H3,(H,15,16);4-5,7,10,14H,1-3,6H2,(H,15,16)/t9-;11-;10-/m111/s1.
What are the key properties of 5-bromo-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-methoxy-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[3,2-b]pyridine;5-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
5-bromo-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-methoxy-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[3,2-b]pyridine;5-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 726.77 g/mol, XLogP of 6.65, 7 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-methoxy-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[3,2-b]pyridine;5-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 157083728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).