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

C29H28ClN7O3 — CID 139487673

IUPACethyl 2-[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1c1nn(Cc2cn3cc(C4CC4)ccc3n2)cc1C(=O)NCc1ncn2ccc(Cl)cc12
InChIInChI=1S/C29H28ClN7O3/c1-2-40-29(39)22-10-21(22)27-23(28(38)31-11-24-25-9-19(30)7-8-35(25)16-32-24)15-37(34-27)14-20-13-36-12-18(17-3-4-17)5-6-26(36)33-20/h5-9,12-13,15-17,21-22H,2-4,10-11,14H2,1H3,(H,31,38)
InChIKeyCRENUKZUIRVBAJ-UHFFFAOYSA-N
MW558.04 g/mol
LogP4.35
Rot. Bonds9

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

ethyl 2-[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]cyclopropane-1-carboxylate (PubChem CID 139487673) has the molecular formula C29H28ClN7O3 and a molecular weight of 558.04 g/mol. Its IUPAC name is ethyl 2-[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]cyclopropane-1-carboxylate
PubChem CID139487673
Molecular FormulaC29H28ClN7O3
Molecular Weight558.04 g/mol
Exact Mass557.19
IUPAC Nameethyl 2-[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1c1nn(Cc2cn3cc(C4CC4)ccc3n2)cc1C(=O)NCc1ncn2ccc(Cl)cc12
InChIInChI=1S/C29H28ClN7O3/c1-2-40-29(39)22-10-21(22)27-23(28(38)31-11-24-25-9-19(30)7-8-35(25)16-32-24)15-37(34-27)14-20-13-36-12-18(17-3-4-17)5-6-26(36)33-20/h5-9,12-13,15-17,21-22H,2-4,10-11,14H2,1H3,(H,31,38)
InChIKeyCRENUKZUIRVBAJ-UHFFFAOYSA-N
XLogP4.35
TPSA107.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.04
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]cyclopropane-1-carboxylate (CID 139487673) is ethyl 2-[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]cyclopropane-1-carboxylate is CCOC(=O)C1CC1c1nn(Cc2cn3cc(C4CC4)ccc3n2)cc1C(=O)NCc1ncn2ccc(Cl)cc12.
What is the InChIKey of ethyl 2-[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]cyclopropane-1-carboxylate?
The InChIKey is CRENUKZUIRVBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClN7O3/c1-2-40-29(39)22-10-21(22)27-23(28(38)31-11-24-25-9-19(30)7-8-35(25)16-32-24)15-37(34-27)14-20-13-36-12-18(17-3-4-17)5-6-26(36)33-20/h5-9,12-13,15-17,21-22H,2-4,10-11,14H2,1H3,(H,31,38).
What are the key properties of ethyl 2-[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]cyclopropane-1-carboxylate?
ethyl 2-[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]cyclopropane-1-carboxylate has a molecular weight of 558.04 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]cyclopropane-1-carboxylate is sourced from PubChem (CID 139487673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).