methyl 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylate

C22H18ClN7O3 — CID 139487699

IUPACmethyl 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)cc45)cn3)cn2c1
InChIInChI=1S/C22H18ClN7O3/c1-33-22(32)14-2-3-20-27-17(11-29(20)9-14)12-30-10-15(7-26-30)21(31)24-8-18-19-6-16(23)4-5-28(19)13-25-18/h2-7,9-11,13H,8,12H2,1H3,(H,24,31)
InChIKeyGAZFDHCGAJVTLJ-UHFFFAOYSA-N
MW463.89 g/mol
LogP2.60
Rot. Bonds6

About methyl 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylate

methyl 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 139487699) has the molecular formula C22H18ClN7O3 and a molecular weight of 463.89 g/mol. Its IUPAC name is methyl 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID139487699
Molecular FormulaC22H18ClN7O3
Molecular Weight463.89 g/mol
Exact Mass463.12
IUPAC Namemethyl 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)cc45)cn3)cn2c1
InChIInChI=1S/C22H18ClN7O3/c1-33-22(32)14-2-3-20-27-17(11-29(20)9-14)12-30-10-15(7-26-30)21(31)24-8-18-19-6-16(23)4-5-28(19)13-25-18/h2-7,9-11,13H,8,12H2,1H3,(H,24,31)
InChIKeyGAZFDHCGAJVTLJ-UHFFFAOYSA-N
XLogP2.60
TPSA107.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.89
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylate (CID 139487699) is methyl 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)cc45)cn3)cn2c1.
What is the InChIKey of methyl 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is GAZFDHCGAJVTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN7O3/c1-33-22(32)14-2-3-20-27-17(11-29(20)9-14)12-30-10-15(7-26-30)21(31)24-8-18-19-6-16(23)4-5-28(19)13-25-18/h2-7,9-11,13H,8,12H2,1H3,(H,24,31).
What are the key properties of methyl 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 463.89 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 139487699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).