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

C28H26ClN7O3 — CID 165112148

IUPAC2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-3-cyclopropylpyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid
SMILESO=C(O)Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)cc45)c(C4CC4)n3)nc12
InChIInChI=1S/C28H26ClN7O3/c29-20-5-6-34-15-31-23(24(34)9-20)10-30-28(39)22-14-36(33-26(22)17-3-4-17)13-21-12-35-11-19(16-1-2-16)7-18(8-25(37)38)27(35)32-21/h5-7,9,11-12,14-17H,1-4,8,10,13H2,(H,30,39)(H,37,38)
InChIKeyKAOLMMGUXDLOJR-UHFFFAOYSA-N
MW544.02 g/mol
LogP4.19
Rot. Bonds9

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

2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-3-cyclopropylpyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid (PubChem CID 165112148) has the molecular formula C28H26ClN7O3 and a molecular weight of 544.02 g/mol. Its IUPAC name is 2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-3-cyclopropylpyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-3-cyclopropylpyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid
PubChem CID165112148
Molecular FormulaC28H26ClN7O3
Molecular Weight544.02 g/mol
Exact Mass543.18
IUPAC Name2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-3-cyclopropylpyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid
SMILESO=C(O)Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)cc45)c(C4CC4)n3)nc12
InChIInChI=1S/C28H26ClN7O3/c29-20-5-6-34-15-31-23(24(34)9-20)10-30-28(39)22-14-36(33-26(22)17-3-4-17)13-21-12-35-11-19(16-1-2-16)7-18(8-25(37)38)27(35)32-21/h5-7,9,11-12,14-17H,1-4,8,10,13H2,(H,30,39)(H,37,38)
InChIKeyKAOLMMGUXDLOJR-UHFFFAOYSA-N
XLogP4.19
TPSA118.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.02
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-3-cyclopropylpyrazol-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-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-3-cyclopropylpyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid?
The IUPAC name of 2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-3-cyclopropylpyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid (CID 165112148) is 2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-3-cyclopropylpyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid.
What is the SMILES notation for 2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-3-cyclopropylpyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid?
The canonical SMILES for 2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-3-cyclopropylpyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid is O=C(O)Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)cc45)c(C4CC4)n3)nc12.
What is the InChIKey of 2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-3-cyclopropylpyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid?
The InChIKey is KAOLMMGUXDLOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN7O3/c29-20-5-6-34-15-31-23(24(34)9-20)10-30-28(39)22-14-36(33-26(22)17-3-4-17)13-21-12-35-11-19(16-1-2-16)7-18(8-25(37)38)27(35)32-21/h5-7,9,11-12,14-17H,1-4,8,10,13H2,(H,30,39)(H,37,38).
What are the key properties of 2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-3-cyclopropylpyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid?
2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-3-cyclopropylpyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid has a molecular weight of 544.02 g/mol, XLogP of 4.19, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-3-cyclopropylpyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid is sourced from PubChem (CID 165112148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).