methyl 3-[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-fluoropropanoate

C26H23ClF2N8O3 — CID 139488293

IUPACmethyl 3-[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-fluoropropanoate
SMILESCOC(=O)C(F)Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12
InChIInChI=1S/C26H23ClF2N8O3/c1-40-26(39)19(28)7-15-6-16(14-2-3-14)9-36-10-17(32-24(15)36)11-37-12-21(33-34-37)25(38)30-8-20-23-22(29)18(27)4-5-35(23)13-31-20/h4-6,9-10,12-14,19H,2-3,7-8,11H2,1H3,(H,30,38)
InChIKeyRNIMQONMTOFHJL-UHFFFAOYSA-N
MW568.97 g/mol
LogP3.28
Rot. Bonds9

About methyl 3-[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-fluoropropanoate

methyl 3-[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-fluoropropanoate (PubChem CID 139488293) has the molecular formula C26H23ClF2N8O3 and a molecular weight of 568.97 g/mol. Its IUPAC name is methyl 3-[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-fluoropropanoate.

Molecular Properties

Compound Namemethyl 3-[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-fluoropropanoate
PubChem CID139488293
Molecular FormulaC26H23ClF2N8O3
Molecular Weight568.97 g/mol
Exact Mass568.15
IUPAC Namemethyl 3-[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-fluoropropanoate
SMILESCOC(=O)C(F)Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12
InChIInChI=1S/C26H23ClF2N8O3/c1-40-26(39)19(28)7-15-6-16(14-2-3-14)9-36-10-17(32-24(15)36)11-37-12-21(33-34-37)25(38)30-8-20-23-22(29)18(27)4-5-35(23)13-31-20/h4-6,9-10,12-14,19H,2-3,7-8,11H2,1H3,(H,30,38)
InChIKeyRNIMQONMTOFHJL-UHFFFAOYSA-N
XLogP3.28
TPSA120.71 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.97
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze methyl 3-[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-fluoropropanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[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-fluoropropanoate?
The IUPAC name of methyl 3-[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-fluoropropanoate (CID 139488293) is methyl 3-[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-fluoropropanoate.
What is the SMILES notation for methyl 3-[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-fluoropropanoate?
The canonical SMILES for methyl 3-[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-fluoropropanoate is COC(=O)C(F)Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12.
What is the InChIKey of methyl 3-[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-fluoropropanoate?
The InChIKey is RNIMQONMTOFHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClF2N8O3/c1-40-26(39)19(28)7-15-6-16(14-2-3-14)9-36-10-17(32-24(15)36)11-37-12-21(33-34-37)25(38)30-8-20-23-22(29)18(27)4-5-35(23)13-31-20/h4-6,9-10,12-14,19H,2-3,7-8,11H2,1H3,(H,30,38).
What are the key properties of methyl 3-[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-fluoropropanoate?
methyl 3-[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-fluoropropanoate has a molecular weight of 568.97 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[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-fluoropropanoate is sourced from PubChem (CID 139488293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).