ethyl 1-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate

C26H24ClN7O3 — CID 139488045

IUPACethyl 1-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2cccn3cc(Cn4cc(C(=O)NCc5ncn6ccc(Cl)cc56)cn4)nc23)CC1
InChIInChI=1S/C26H24ClN7O3/c1-2-37-25(36)26(6-7-26)20-4-3-8-32-14-19(31-23(20)32)15-34-13-17(11-30-34)24(35)28-12-21-22-10-18(27)5-9-33(22)16-29-21/h3-5,8-11,13-14,16H,2,6-7,12,15H2,1H3,(H,28,35)
InChIKeyUPVPQIXEILONOG-UHFFFAOYSA-N
MW517.98 g/mol
LogP3.40
Rot. Bonds8

About ethyl 1-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate

ethyl 1-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate (PubChem CID 139488045) has the molecular formula C26H24ClN7O3 and a molecular weight of 517.98 g/mol. Its IUPAC name is ethyl 1-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate
PubChem CID139488045
Molecular FormulaC26H24ClN7O3
Molecular Weight517.98 g/mol
Exact Mass517.16
IUPAC Nameethyl 1-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2cccn3cc(Cn4cc(C(=O)NCc5ncn6ccc(Cl)cc56)cn4)nc23)CC1
InChIInChI=1S/C26H24ClN7O3/c1-2-37-25(36)26(6-7-26)20-4-3-8-32-14-19(31-23(20)32)15-34-13-17(11-30-34)24(35)28-12-21-22-10-18(27)5-9-33(22)16-29-21/h3-5,8-11,13-14,16H,2,6-7,12,15H2,1H3,(H,28,35)
InChIKeyUPVPQIXEILONOG-UHFFFAOYSA-N
XLogP3.40
TPSA107.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.98
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 1-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate (CID 139488045) is ethyl 1-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate is CCOC(=O)C1(c2cccn3cc(Cn4cc(C(=O)NCc5ncn6ccc(Cl)cc56)cn4)nc23)CC1.
What is the InChIKey of ethyl 1-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate?
The InChIKey is UPVPQIXEILONOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN7O3/c1-2-37-25(36)26(6-7-26)20-4-3-8-32-14-19(31-23(20)32)15-34-13-17(11-30-34)24(35)28-12-21-22-10-18(27)5-9-33(22)16-29-21/h3-5,8-11,13-14,16H,2,6-7,12,15H2,1H3,(H,28,35).
What are the key properties of ethyl 1-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate?
ethyl 1-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate has a molecular weight of 517.98 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate is sourced from PubChem (CID 139488045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).