5-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-2-(5-fluoro-1-methylindol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C23H17BrFN7 — CID 175640360

IUPAC5-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-2-(5-fluoro-1-methylindol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cc3nc(-c4cn(C)c5ncc(Br)cc45)cc(N)n3n2)c2cc(F)ccc21
InChIInChI=1S/C23H17BrFN7/c1-30-10-16(14-6-13(25)3-4-20(14)30)19-8-22-28-18(7-21(26)32(22)29-19)17-11-31(2)23-15(17)5-12(24)9-27-23/h3-11H,26H2,1-2H3
InChIKeyRRGNAHANTFHSMI-UHFFFAOYSA-N
MW490.34 g/mol
LogP4.93
Rot. Bonds2

About 5-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-2-(5-fluoro-1-methylindol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine

5-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-2-(5-fluoro-1-methylindol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 175640360) has the molecular formula C23H17BrFN7 and a molecular weight of 490.34 g/mol. Its IUPAC name is 5-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-2-(5-fluoro-1-methylindol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-2-(5-fluoro-1-methylindol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID175640360
Molecular FormulaC23H17BrFN7
Molecular Weight490.34 g/mol
Exact Mass489.07
IUPAC Name5-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-2-(5-fluoro-1-methylindol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cc3nc(-c4cn(C)c5ncc(Br)cc45)cc(N)n3n2)c2cc(F)ccc21
InChIInChI=1S/C23H17BrFN7/c1-30-10-16(14-6-13(25)3-4-20(14)30)19-8-22-28-18(7-21(26)32(22)29-19)17-11-31(2)23-15(17)5-12(24)9-27-23/h3-11H,26H2,1-2H3
InChIKeyRRGNAHANTFHSMI-UHFFFAOYSA-N
XLogP4.93
TPSA78.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.34
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-2-(5-fluoro-1-methylindol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-2-(5-fluoro-1-methylindol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 175640360) is 5-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-2-(5-fluoro-1-methylindol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-2-(5-fluoro-1-methylindol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-2-(5-fluoro-1-methylindol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine is Cn1cc(-c2cc3nc(-c4cn(C)c5ncc(Br)cc45)cc(N)n3n2)c2cc(F)ccc21.
What is the InChIKey of 5-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-2-(5-fluoro-1-methylindol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is RRGNAHANTFHSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrFN7/c1-30-10-16(14-6-13(25)3-4-20(14)30)19-8-22-28-18(7-21(26)32(22)29-19)17-11-31(2)23-15(17)5-12(24)9-27-23/h3-11H,26H2,1-2H3.
What are the key properties of 5-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-2-(5-fluoro-1-methylindol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-2-(5-fluoro-1-methylindol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 490.34 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-2-(5-fluoro-1-methylindol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 175640360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).