1-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid;ethyl 1-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate

C52H46Cl2N12O6 — CID 157452704

IUPAC1-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid;ethyl 1-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2cccn3cc(Cn4cc(C(=O)CCc5ncn6ccc(Cl)cc56)cn4)nc23)CC1.O=C(CCc1ncn2ccc(Cl)cc12)c1cnn(Cc2cn3cccc(C4(C(=O)O)CC4)c3n2)c1
InChIInChI=1S/C27H25ClN6O3.C25H21ClN6O3/c1-2-37-26(36)27(8-9-27)21-4-3-10-32-15-20(31-25(21)32)16-34-14-18(13-30-34)24(35)6-5-22-23-12-19(28)7-11-33(23)17-29-22;26-17-5-9-31-15-27-20(21(31)10-17)3-4-22(33)16-11-28-32(12-16)14-18-13-30-8-1-2-19(23(30)29-18)25(6-7-25)24(34)35/h3-4,7,10-15,17H,2,5-6,8-9,16H2,1H3;1-2,5,8-13,15H,3-4,6-7,14H2,(H,34,35)
InChIKeyBSZGSJLYXJSEAM-UHFFFAOYSA-N
MW1005.92 g/mol
LogP8.10
Rot. Bonds17

About 1-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid;ethyl 1-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate

1-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid;ethyl 1-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate (PubChem CID 157452704) has the molecular formula C52H46Cl2N12O6 and a molecular weight of 1005.92 g/mol. Its IUPAC name is 1-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid;ethyl 1-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Name1-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid;ethyl 1-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate
PubChem CID157452704
Molecular FormulaC52H46Cl2N12O6
Molecular Weight1005.92 g/mol
Exact Mass1004.30
IUPAC Name1-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid;ethyl 1-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2cccn3cc(Cn4cc(C(=O)CCc5ncn6ccc(Cl)cc56)cn4)nc23)CC1.O=C(CCc1ncn2ccc(Cl)cc12)c1cnn(Cc2cn3cccc(C4(C(=O)O)CC4)c3n2)c1
InChIInChI=1S/C27H25ClN6O3.C25H21ClN6O3/c1-2-37-26(36)27(8-9-27)21-4-3-10-32-15-20(31-25(21)32)16-34-14-18(13-30-34)24(35)6-5-22-23-12-19(28)7-11-33(23)17-29-22;26-17-5-9-31-15-27-20(21(31)10-17)3-4-22(33)16-11-28-32(12-16)14-18-13-30-8-1-2-19(23(30)29-18)25(6-7-25)24(34)35/h3-4,7,10-15,17H,2,5-6,8-9,16H2,1H3;1-2,5,8-13,15H,3-4,6-7,14H2,(H,34,35)
InChIKeyBSZGSJLYXJSEAM-UHFFFAOYSA-N
XLogP8.10
TPSA202.58 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001005.92
LogP ≤ 58.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze 1-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid;ethyl 1-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate with MolForge

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Related Compounds

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
3-(7-Chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid
CID 157298740
Tert-butyl 2-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetate;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-amine;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;1-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[5-(triazol-2-yl)-2-(trifluoromethyl)-4-pyridinyl]propan-2-one
CID 159288176
1-[1-[[8-(Aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;2-methyloxirane
CID 161171277
2-[2-[[4-[3-(7-Chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid
CID 153430973
Ethyl 3-[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]propanoate
CID 153431003
Methyl 2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate
CID 153431012
3-(7-Chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one
CID 153431028
3-[4-[3-(7-Chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]propanoic acid
CID 153431046
Ethyl 2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate
CID 155624268
2-[2-[[4-[3-(7-Chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid
CID 155624271
3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[8-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(pyrazol-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;2H-pyrrole
CID 157151772

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid;ethyl 1-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate?
The IUPAC name of 1-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid;ethyl 1-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate (CID 157452704) is 1-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid;ethyl 1-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate.
What is the SMILES notation for 1-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid;ethyl 1-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate?
The canonical SMILES for 1-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid;ethyl 1-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate is CCOC(=O)C1(c2cccn3cc(Cn4cc(C(=O)CCc5ncn6ccc(Cl)cc56)cn4)nc23)CC1.O=C(CCc1ncn2ccc(Cl)cc12)c1cnn(Cc2cn3cccc(C4(C(=O)O)CC4)c3n2)c1.
What is the InChIKey of 1-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid;ethyl 1-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate?
The InChIKey is BSZGSJLYXJSEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN6O3.C25H21ClN6O3/c1-2-37-26(36)27(8-9-27)21-4-3-10-32-15-20(31-25(21)32)16-34-14-18(13-30-34)24(35)6-5-22-23-12-19(28)7-11-33(23)17-29-22;26-17-5-9-31-15-27-20(21(31)10-17)3-4-22(33)16-11-28-32(12-16)14-18-13-30-8-1-2-19(23(30)29-18)25(6-7-25)24(34)35/h3-4,7,10-15,17H,2,5-6,8-9,16H2,1H3;1-2,5,8-13,15H,3-4,6-7,14H2,(H,34,35).
What are the key properties of 1-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid;ethyl 1-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate?
1-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid;ethyl 1-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate has a molecular weight of 1005.92 g/mol, XLogP of 8.10, 17 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid;ethyl 1-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate is sourced from PubChem (CID 157452704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).