2-[2-[[4-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid

C25H21BrFN7O3 — CID 139487836

IUPAC2-[2-[[4-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid
SMILESO=C(O)Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Br)c(F)c45)cn3)nc12
InChIInChI=1S/C25H21BrFN7O3/c26-19-3-4-32-13-29-20(23(32)22(19)27)8-28-25(37)17-7-30-34(10-17)12-18-11-33-9-16(14-1-2-14)5-15(6-21(35)36)24(33)31-18/h3-5,7,9-11,13-14H,1-2,6,8,12H2,(H,28,37)(H,35,36)
InChIKeyHBNZBVQEQALRPB-UHFFFAOYSA-N
MW566.39 g/mol
LogP3.56
Rot. Bonds8

About 2-[2-[[4-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid

2-[2-[[4-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid (PubChem CID 139487836) has the molecular formula C25H21BrFN7O3 and a molecular weight of 566.39 g/mol. Its IUPAC name is 2-[2-[[4-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[[4-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid
PubChem CID139487836
Molecular FormulaC25H21BrFN7O3
Molecular Weight566.39 g/mol
Exact Mass565.09
IUPAC Name2-[2-[[4-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid
SMILESO=C(O)Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Br)c(F)c45)cn3)nc12
InChIInChI=1S/C25H21BrFN7O3/c26-19-3-4-32-13-29-20(23(32)22(19)27)8-28-25(37)17-7-30-34(10-17)12-18-11-33-9-16(14-1-2-14)5-15(6-21(35)36)24(33)31-18/h3-5,7,9-11,13-14H,1-2,6,8,12H2,(H,28,37)(H,35,36)
InChIKeyHBNZBVQEQALRPB-UHFFFAOYSA-N
XLogP3.56
TPSA118.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.39
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[2-[[4-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid?
The IUPAC name of 2-[2-[[4-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid (CID 139487836) is 2-[2-[[4-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid.
What is the SMILES notation for 2-[2-[[4-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid?
The canonical SMILES for 2-[2-[[4-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid is O=C(O)Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Br)c(F)c45)cn3)nc12.
What is the InChIKey of 2-[2-[[4-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid?
The InChIKey is HBNZBVQEQALRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21BrFN7O3/c26-19-3-4-32-13-29-20(23(32)22(19)27)8-28-25(37)17-7-30-34(10-17)12-18-11-33-9-16(14-1-2-14)5-15(6-21(35)36)24(33)31-18/h3-5,7,9-11,13-14H,1-2,6,8,12H2,(H,28,37)(H,35,36).
What are the key properties of 2-[2-[[4-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid?
2-[2-[[4-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid has a molecular weight of 566.39 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid is sourced from PubChem (CID 139487836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).