3-[1-(7-acetylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;5-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide;4-chloro-N-cyclopropyl-2-fluoro-5-(1-pyrazolo[1,5-a]pyridin-3-ylpyrazol-4-yl)benzamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-7-carboxamide

C92H86Cl2F2N22O8S — CID 158373213

IUPAC3-[1-(7-acetylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;5-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide;4-chloro-N-cyclopropyl-2-fluoro-5-(1-pyrazolo[1,5-a]pyridin-3-ylpyrazol-4-yl)benzamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-7-carboxamide
SMILESCC(=O)c1ccn2c(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)cnc2c1.CC(C)(C)S(=O)(=O)c1ccc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4Cl)cn3)n2c1.CNCCNC(=O)c1ccn2c(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)cnc2c1.O=C(NC1CC1)c1cc(-c2cnn(-c3cnn4ccccc34)c2)c(Cl)cc1F
InChIInChI=1S/C25H27N7O2.C24H23ClFN5O3S.C23H21N5O2.C20H15ClFN5O/c1-16-3-4-17(25(34)30-20-5-6-20)11-21(16)19-13-29-32(15-19)23-14-28-22-12-18(7-10-31(22)23)24(33)27-9-8-26-2;1-24(2,3)35(33,34)16-6-7-21-27-11-22(30(21)13-16)31-12-14(10-28-31)17-8-18(20(26)9-19(17)25)23(32)29-15-4-5-15;1-14-3-4-17(23(30)26-19-5-6-19)9-20(14)18-11-25-28(13-18)22-12-24-21-10-16(15(2)29)7-8-27(21)22;21-16-8-17(22)15(20(28)25-13-4-5-13)7-14(16)12-9-23-27(11-12)19-10-24-26-6-2-1-3-18(19)26/h3-4,7,10-15,20,26H,5-6,8-9H2,1-2H3,(H,27,33)(H,30,34);6-13,15H,4-5H2,1-3H3,(H,29,32);3-4,7-13,19H,5-6H2,1-2H3,(H,26,30);1-3,6-11,13H,4-5H2,(H,25,28)
InChIKeyGUWLNWWXCZBRFY-UHFFFAOYSA-N
MW1768.81 g/mol
LogP14.24
Rot. Bonds22

About 3-[1-(7-acetylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;5-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide;4-chloro-N-cyclopropyl-2-fluoro-5-(1-pyrazolo[1,5-a]pyridin-3-ylpyrazol-4-yl)benzamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-7-carboxamide

3-[1-(7-acetylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;5-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide;4-chloro-N-cyclopropyl-2-fluoro-5-(1-pyrazolo[1,5-a]pyridin-3-ylpyrazol-4-yl)benzamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 158373213) has the molecular formula C92H86Cl2F2N22O8S and a molecular weight of 1768.81 g/mol. Its IUPAC name is 3-[1-(7-acetylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;5-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide;4-chloro-N-cyclopropyl-2-fluoro-5-(1-pyrazolo[1,5-a]pyridin-3-ylpyrazol-4-yl)benzamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name3-[1-(7-acetylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;5-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide;4-chloro-N-cyclopropyl-2-fluoro-5-(1-pyrazolo[1,5-a]pyridin-3-ylpyrazol-4-yl)benzamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-7-carboxamide
PubChem CID158373213
Molecular FormulaC92H86Cl2F2N22O8S
Molecular Weight1768.81 g/mol
Exact Mass1766.61
IUPAC Name3-[1-(7-acetylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;5-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide;4-chloro-N-cyclopropyl-2-fluoro-5-(1-pyrazolo[1,5-a]pyridin-3-ylpyrazol-4-yl)benzamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-7-carboxamide
SMILESCC(=O)c1ccn2c(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)cnc2c1.CC(C)(C)S(=O)(=O)c1ccc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4Cl)cn3)n2c1.CNCCNC(=O)c1ccn2c(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)cnc2c1.O=C(NC1CC1)c1cc(-c2cnn(-c3cnn4ccccc34)c2)c(Cl)cc1F
InChIInChI=1S/C25H27N7O2.C24H23ClFN5O3S.C23H21N5O2.C20H15ClFN5O/c1-16-3-4-17(25(34)30-20-5-6-20)11-21(16)19-13-29-32(15-19)23-14-28-22-12-18(7-10-31(22)23)24(33)27-9-8-26-2;1-24(2,3)35(33,34)16-6-7-21-27-11-22(30(21)13-16)31-12-14(10-28-31)17-8-18(20(26)9-19(17)25)23(32)29-15-4-5-15;1-14-3-4-17(23(30)26-19-5-6-19)9-20(14)18-11-25-28(13-18)22-12-24-21-10-16(15(2)29)7-8-27(21)22;21-16-8-17(22)15(20(28)25-13-4-5-13)7-14(16)12-9-23-27(11-12)19-10-24-26-6-2-1-3-18(19)26/h3-4,7,10-15,20,26H,5-6,8-9H2,1-2H3,(H,27,33)(H,30,34);6-13,15H,4-5H2,1-3H3,(H,29,32);3-4,7-13,19H,5-6H2,1-2H3,(H,26,30);1-3,6-11,13H,4-5H2,(H,25,28)
InChIKeyGUWLNWWXCZBRFY-UHFFFAOYSA-N
XLogP14.24
TPSA349.22 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds22
Heavy Atoms127
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001768.81
LogP ≤ 514.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[1-(7-acetylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;5-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide;4-chloro-N-cyclopropyl-2-fluoro-5-(1-pyrazolo[1,5-a]pyridin-3-ylpyrazol-4-yl)benzamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(7-acetylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;5-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide;4-chloro-N-cyclopropyl-2-fluoro-5-(1-pyrazolo[1,5-a]pyridin-3-ylpyrazol-4-yl)benzamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of 3-[1-(7-acetylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;5-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide;4-chloro-N-cyclopropyl-2-fluoro-5-(1-pyrazolo[1,5-a]pyridin-3-ylpyrazol-4-yl)benzamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-7-carboxamide (CID 158373213) is 3-[1-(7-acetylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;5-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide;4-chloro-N-cyclopropyl-2-fluoro-5-(1-pyrazolo[1,5-a]pyridin-3-ylpyrazol-4-yl)benzamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for 3-[1-(7-acetylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;5-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide;4-chloro-N-cyclopropyl-2-fluoro-5-(1-pyrazolo[1,5-a]pyridin-3-ylpyrazol-4-yl)benzamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for 3-[1-(7-acetylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;5-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide;4-chloro-N-cyclopropyl-2-fluoro-5-(1-pyrazolo[1,5-a]pyridin-3-ylpyrazol-4-yl)benzamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-7-carboxamide is CC(=O)c1ccn2c(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)cnc2c1.CC(C)(C)S(=O)(=O)c1ccc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4Cl)cn3)n2c1.CNCCNC(=O)c1ccn2c(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)cnc2c1.O=C(NC1CC1)c1cc(-c2cnn(-c3cnn4ccccc34)c2)c(Cl)cc1F.
What is the InChIKey of 3-[1-(7-acetylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;5-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide;4-chloro-N-cyclopropyl-2-fluoro-5-(1-pyrazolo[1,5-a]pyridin-3-ylpyrazol-4-yl)benzamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is GUWLNWWXCZBRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2.C24H23ClFN5O3S.C23H21N5O2.C20H15ClFN5O/c1-16-3-4-17(25(34)30-20-5-6-20)11-21(16)19-13-29-32(15-19)23-14-28-22-12-18(7-10-31(22)23)24(33)27-9-8-26-2;1-24(2,3)35(33,34)16-6-7-21-27-11-22(30(21)13-16)31-12-14(10-28-31)17-8-18(20(26)9-19(17)25)23(32)29-15-4-5-15;1-14-3-4-17(23(30)26-19-5-6-19)9-20(14)18-11-25-28(13-18)22-12-24-21-10-16(15(2)29)7-8-27(21)22;21-16-8-17(22)15(20(28)25-13-4-5-13)7-14(16)12-9-23-27(11-12)19-10-24-26-6-2-1-3-18(19)26/h3-4,7,10-15,20,26H,5-6,8-9H2,1-2H3,(H,27,33)(H,30,34);6-13,15H,4-5H2,1-3H3,(H,29,32);3-4,7-13,19H,5-6H2,1-2H3,(H,26,30);1-3,6-11,13H,4-5H2,(H,25,28).
What are the key properties of 3-[1-(7-acetylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;5-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide;4-chloro-N-cyclopropyl-2-fluoro-5-(1-pyrazolo[1,5-a]pyridin-3-ylpyrazol-4-yl)benzamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-7-carboxamide?
3-[1-(7-acetylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;5-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide;4-chloro-N-cyclopropyl-2-fluoro-5-(1-pyrazolo[1,5-a]pyridin-3-ylpyrazol-4-yl)benzamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 1768.81 g/mol, XLogP of 14.24, 22 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(7-acetylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;5-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide;4-chloro-N-cyclopropyl-2-fluoro-5-(1-pyrazolo[1,5-a]pyridin-3-ylpyrazol-4-yl)benzamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 158373213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).