methyl 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-2-carboxylate

C26H22ClFN6O3 — CID 139487457

IUPACmethyl 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(C(=O)NCc2ncn3ccc(Cl)c(F)c23)cn1Cc1cn2cc(C3CC3)ccc2n1
InChIInChI=1S/C26H22ClFN6O3/c1-37-26(36)21-8-17(25(35)29-9-20-24-23(28)19(27)6-7-32(24)14-30-20)11-33(21)12-18-13-34-10-16(15-2-3-15)4-5-22(34)31-18/h4-8,10-11,13-15H,2-3,9,12H2,1H3,(H,29,35)
InChIKeyGFWSTLBWNVUUNX-UHFFFAOYSA-N
MW520.95 g/mol
LogP4.22
Rot. Bonds7

About methyl 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-2-carboxylate

methyl 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-2-carboxylate (PubChem CID 139487457) has the molecular formula C26H22ClFN6O3 and a molecular weight of 520.95 g/mol. Its IUPAC name is methyl 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-2-carboxylate
PubChem CID139487457
Molecular FormulaC26H22ClFN6O3
Molecular Weight520.95 g/mol
Exact Mass520.14
IUPAC Namemethyl 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(C(=O)NCc2ncn3ccc(Cl)c(F)c23)cn1Cc1cn2cc(C3CC3)ccc2n1
InChIInChI=1S/C26H22ClFN6O3/c1-37-26(36)21-8-17(25(35)29-9-20-24-23(28)19(27)6-7-32(24)14-30-20)11-33(21)12-18-13-34-10-16(15-2-3-15)4-5-22(34)31-18/h4-8,10-11,13-15H,2-3,9,12H2,1H3,(H,29,35)
InChIKeyGFWSTLBWNVUUNX-UHFFFAOYSA-N
XLogP4.22
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.95
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-2-carboxylate?
The IUPAC name of methyl 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-2-carboxylate (CID 139487457) is methyl 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-2-carboxylate is COC(=O)c1cc(C(=O)NCc2ncn3ccc(Cl)c(F)c23)cn1Cc1cn2cc(C3CC3)ccc2n1.
What is the InChIKey of methyl 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-2-carboxylate?
The InChIKey is GFWSTLBWNVUUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClFN6O3/c1-37-26(36)21-8-17(25(35)29-9-20-24-23(28)19(27)6-7-32(24)14-30-20)11-33(21)12-18-13-34-10-16(15-2-3-15)4-5-22(34)31-18/h4-8,10-11,13-15H,2-3,9,12H2,1H3,(H,29,35).
What are the key properties of methyl 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-2-carboxylate?
methyl 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-2-carboxylate has a molecular weight of 520.95 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-2-carboxylate is sourced from PubChem (CID 139487457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).