1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-ethylimidazole-4-carboxylic acid

C28H24ClFN10O3 — CID 155018686

IUPAC1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-ethylimidazole-4-carboxylic acid
SMILESCCc1nc(C(=O)O)cn1-c1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12
InChIInChI=1S/C28H24ClFN10O3/c1-2-23-34-21(28(42)43)13-40(23)22-7-16(15-3-4-15)9-38-10-17(33-26(22)38)11-39-12-20(35-36-39)27(41)31-8-19-25-24(30)18(29)5-6-37(25)14-32-19/h5-7,9-10,12-15H,2-4,8,11H2,1H3,(H,31,41)(H,42,43)
InChIKeyHEEDCNQIKYQLNU-UHFFFAOYSA-N
MW603.02 g/mol
LogP3.67
Rot. Bonds9

About 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-ethylimidazole-4-carboxylic acid

1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-ethylimidazole-4-carboxylic acid (PubChem CID 155018686) has the molecular formula C28H24ClFN10O3 and a molecular weight of 603.02 g/mol. Its IUPAC name is 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-ethylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-ethylimidazole-4-carboxylic acid
PubChem CID155018686
Molecular FormulaC28H24ClFN10O3
Molecular Weight603.02 g/mol
Exact Mass602.17
IUPAC Name1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-ethylimidazole-4-carboxylic acid
SMILESCCc1nc(C(=O)O)cn1-c1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12
InChIInChI=1S/C28H24ClFN10O3/c1-2-23-34-21(28(42)43)13-40(23)22-7-16(15-3-4-15)9-38-10-17(33-26(22)38)11-39-12-20(35-36-39)27(41)31-8-19-25-24(30)18(29)5-6-37(25)14-32-19/h5-7,9-10,12-15H,2-4,8,11H2,1H3,(H,31,41)(H,42,43)
InChIKeyHEEDCNQIKYQLNU-UHFFFAOYSA-N
XLogP3.67
TPSA149.53 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.02
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-ethylimidazole-4-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-ethylimidazole-4-carboxylic acid?
The IUPAC name of 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-ethylimidazole-4-carboxylic acid (CID 155018686) is 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-ethylimidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-ethylimidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-ethylimidazole-4-carboxylic acid is CCc1nc(C(=O)O)cn1-c1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12.
What is the InChIKey of 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-ethylimidazole-4-carboxylic acid?
The InChIKey is HEEDCNQIKYQLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClFN10O3/c1-2-23-34-21(28(42)43)13-40(23)22-7-16(15-3-4-15)9-38-10-17(33-26(22)38)11-39-12-20(35-36-39)27(41)31-8-19-25-24(30)18(29)5-6-37(25)14-32-19/h5-7,9-10,12-15H,2-4,8,11H2,1H3,(H,31,41)(H,42,43).
What are the key properties of 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-ethylimidazole-4-carboxylic acid?
1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-ethylimidazole-4-carboxylic acid has a molecular weight of 603.02 g/mol, XLogP of 3.67, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-ethylimidazole-4-carboxylic acid is sourced from PubChem (CID 155018686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).