ethyl 3-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2,2-dimethylpropanoate

C30H32ClN7O3 — CID 139487888

IUPACethyl 3-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2,2-dimethylpropanoate
SMILESCCOC(=O)C(C)(C)Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)cc45)cn3)nc12
InChIInChI=1S/C30H32ClN7O3/c1-4-41-29(40)30(2,3)11-20-9-21(19-5-6-19)14-37-16-24(35-27(20)37)17-38-15-22(12-34-38)28(39)32-13-25-26-10-23(31)7-8-36(26)18-33-25/h7-10,12,14-16,18-19H,4-6,11,13,17H2,1-3H3,(H,32,39)
InChIKeyFPILPBZKRTWQLG-UHFFFAOYSA-N
MW574.09 g/mol
LogP4.82
Rot. Bonds10

About ethyl 3-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2,2-dimethylpropanoate

ethyl 3-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2,2-dimethylpropanoate (PubChem CID 139487888) has the molecular formula C30H32ClN7O3 and a molecular weight of 574.09 g/mol. Its IUPAC name is ethyl 3-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2,2-dimethylpropanoate.

Molecular Properties

Compound Nameethyl 3-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2,2-dimethylpropanoate
PubChem CID139487888
Molecular FormulaC30H32ClN7O3
Molecular Weight574.09 g/mol
Exact Mass573.23
IUPAC Nameethyl 3-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2,2-dimethylpropanoate
SMILESCCOC(=O)C(C)(C)Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)cc45)cn3)nc12
InChIInChI=1S/C30H32ClN7O3/c1-4-41-29(40)30(2,3)11-20-9-21(19-5-6-19)14-37-16-24(35-27(20)37)17-38-15-22(12-34-38)28(39)32-13-25-26-10-23(31)7-8-36(26)18-33-25/h7-10,12,14-16,18-19H,4-6,11,13,17H2,1-3H3,(H,32,39)
InChIKeyFPILPBZKRTWQLG-UHFFFAOYSA-N
XLogP4.82
TPSA107.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.09
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 3-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2,2-dimethylpropanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2,2-dimethylpropanoate?
The IUPAC name of ethyl 3-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2,2-dimethylpropanoate (CID 139487888) is ethyl 3-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2,2-dimethylpropanoate.
What is the SMILES notation for ethyl 3-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2,2-dimethylpropanoate?
The canonical SMILES for ethyl 3-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2,2-dimethylpropanoate is CCOC(=O)C(C)(C)Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)cc45)cn3)nc12.
What is the InChIKey of ethyl 3-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2,2-dimethylpropanoate?
The InChIKey is FPILPBZKRTWQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32ClN7O3/c1-4-41-29(40)30(2,3)11-20-9-21(19-5-6-19)14-37-16-24(35-27(20)37)17-38-15-22(12-34-38)28(39)32-13-25-26-10-23(31)7-8-36(26)18-33-25/h7-10,12,14-16,18-19H,4-6,11,13,17H2,1-3H3,(H,32,39).
What are the key properties of ethyl 3-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2,2-dimethylpropanoate?
ethyl 3-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2,2-dimethylpropanoate has a molecular weight of 574.09 g/mol, XLogP of 4.82, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2,2-dimethylpropanoate is sourced from PubChem (CID 139487888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).