1-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanamine

C16H18BrN5 — CID 167894498

IUPAC1-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanamine
SMILESBrc1c[nH]c2ncc(CNCc3cn4c(n3)CCCC4)cc12
InChIInChI=1S/C16H18BrN5/c17-14-9-20-16-13(14)5-11(7-19-16)6-18-8-12-10-22-4-2-1-3-15(22)21-12/h5,7,9-10,18H,1-4,6,8H2,(H,19,20)
InChIKeyHQZQANXANVIRIO-UHFFFAOYSA-N
MW360.26 g/mol
LogP3.15
Rot. Bonds4

About 1-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanamine

1-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanamine (PubChem CID 167894498) has the molecular formula C16H18BrN5 and a molecular weight of 360.26 g/mol. Its IUPAC name is 1-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanamine
PubChem CID167894498
Molecular FormulaC16H18BrN5
Molecular Weight360.26 g/mol
Exact Mass359.07
IUPAC Name1-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanamine
SMILESBrc1c[nH]c2ncc(CNCc3cn4c(n3)CCCC4)cc12
InChIInChI=1S/C16H18BrN5/c17-14-9-20-16-13(14)5-11(7-19-16)6-18-8-12-10-22-4-2-1-3-15(22)21-12/h5,7,9-10,18H,1-4,6,8H2,(H,19,20)
InChIKeyHQZQANXANVIRIO-UHFFFAOYSA-N
XLogP3.15
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.26
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanamine (CID 167894498) is 1-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanamine is Brc1c[nH]c2ncc(CNCc3cn4c(n3)CCCC4)cc12.
What is the InChIKey of 1-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanamine?
The InChIKey is HQZQANXANVIRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN5/c17-14-9-20-16-13(14)5-11(7-19-16)6-18-8-12-10-22-4-2-1-3-15(22)21-12/h5,7,9-10,18H,1-4,6,8H2,(H,19,20).
What are the key properties of 1-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanamine?
1-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanamine has a molecular weight of 360.26 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 167894498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).