3-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoic acid

C26H24ClN7O3 — CID 139488041

IUPAC3-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoic acid
SMILESO=C(O)CCc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)cc45)cn3)nc12
InChIInChI=1S/C26H24ClN7O3/c27-20-5-6-32-15-29-22(23(32)8-20)10-28-26(37)19-9-30-34(12-19)14-21-13-33-11-18(16-1-2-16)7-17(25(33)31-21)3-4-24(35)36/h5-9,11-13,15-16H,1-4,10,14H2,(H,28,37)(H,35,36)
InChIKeyPYBUWKWYRFJYSY-UHFFFAOYSA-N
MW517.98 g/mol
LogP3.70
Rot. Bonds9

About 3-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoic acid

3-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoic acid (PubChem CID 139488041) has the molecular formula C26H24ClN7O3 and a molecular weight of 517.98 g/mol. Its IUPAC name is 3-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoic acid
PubChem CID139488041
Molecular FormulaC26H24ClN7O3
Molecular Weight517.98 g/mol
Exact Mass517.16
IUPAC Name3-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoic acid
SMILESO=C(O)CCc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)cc45)cn3)nc12
InChIInChI=1S/C26H24ClN7O3/c27-20-5-6-32-15-29-22(23(32)8-20)10-28-26(37)19-9-30-34(12-19)14-21-13-33-11-18(16-1-2-16)7-17(25(33)31-21)3-4-24(35)36/h5-9,11-13,15-16H,1-4,10,14H2,(H,28,37)(H,35,36)
InChIKeyPYBUWKWYRFJYSY-UHFFFAOYSA-N
XLogP3.70
TPSA118.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.98
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoic acid?
The IUPAC name of 3-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoic acid (CID 139488041) is 3-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoic acid.
What is the SMILES notation for 3-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoic acid?
The canonical SMILES for 3-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoic acid is O=C(O)CCc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)cc45)cn3)nc12.
What is the InChIKey of 3-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoic acid?
The InChIKey is PYBUWKWYRFJYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN7O3/c27-20-5-6-32-15-29-22(23(32)8-20)10-28-26(37)19-9-30-34(12-19)14-21-13-33-11-18(16-1-2-16)7-17(25(33)31-21)3-4-24(35)36/h5-9,11-13,15-16H,1-4,10,14H2,(H,28,37)(H,35,36).
What are the key properties of 3-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoic acid?
3-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoic acid has a molecular weight of 517.98 g/mol, XLogP of 3.70, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoic acid is sourced from PubChem (CID 139488041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).