4-chloro-N-cyclopropyl-2-fluoro-5-(1-imidazo[1,2-a]pyridin-3-ylpyrazol-4-yl)benzamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide;N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethenyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-3-[1-[6-(1-hydroxyethenyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide

C89H78ClF2N21O7 — CID 162075126

IUPAC4-chloro-N-cyclopropyl-2-fluoro-5-(1-imidazo[1,2-a]pyridin-3-ylpyrazol-4-yl)benzamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide;N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethenyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-3-[1-[6-(1-hydroxyethenyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide
SMILESC=C(O)c1ccc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2c1.C=C(O)c1ccc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)n2c1.CNC(=O)c1ccc2ncc(-n3cnc(-c4cc(C(=O)NC5CC5)ccc4C)c3)n2c1.O=C(NC1CC1)c1cc(-c2cnn(-c3cnc4ccccn34)c2)c(Cl)cc1F
InChIInChI=1S/C23H20FN5O2.C23H22N6O2.C23H21N5O2.C20H15ClFN5O/c1-13-7-20(24)19(23(31)27-17-4-5-17)8-18(13)16-9-26-29(12-16)22-10-25-21-6-3-15(14(2)30)11-28(21)22;1-14-3-4-15(23(31)27-17-6-7-17)9-18(14)19-12-28(13-26-19)21-10-25-20-8-5-16(11-29(20)21)22(30)24-2;1-14-3-4-16(23(30)26-19-6-7-19)9-20(14)18-10-25-28(13-18)22-11-24-21-8-5-17(15(2)29)12-27(21)22;21-16-8-17(22)15(20(28)25-13-4-5-13)7-14(16)12-9-24-27(11-12)19-10-23-18-3-1-2-6-26(18)19/h3,6-12,17,30H,2,4-5H2,1H3,(H,27,31);3-5,8-13,17H,6-7H2,1-2H3,(H,24,30)(H,27,31);3-5,8-13,19,29H,2,6-7H2,1H3,(H,26,30);1-3,6-11,13H,4-5H2,(H,25,28)
InChIKeyZBPKKYBXDVCKSY-UHFFFAOYSA-N
MW1627.19 g/mol
LogP14.59
Rot. Bonds19

About 4-chloro-N-cyclopropyl-2-fluoro-5-(1-imidazo[1,2-a]pyridin-3-ylpyrazol-4-yl)benzamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide;N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethenyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-3-[1-[6-(1-hydroxyethenyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide

4-chloro-N-cyclopropyl-2-fluoro-5-(1-imidazo[1,2-a]pyridin-3-ylpyrazol-4-yl)benzamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide;N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethenyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-3-[1-[6-(1-hydroxyethenyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide (PubChem CID 162075126) has the molecular formula C89H78ClF2N21O7 and a molecular weight of 1627.19 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-2-fluoro-5-(1-imidazo[1,2-a]pyridin-3-ylpyrazol-4-yl)benzamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide;N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethenyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-3-[1-[6-(1-hydroxyethenyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-2-fluoro-5-(1-imidazo[1,2-a]pyridin-3-ylpyrazol-4-yl)benzamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide;N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethenyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-3-[1-[6-(1-hydroxyethenyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide
PubChem CID162075126
Molecular FormulaC89H78ClF2N21O7
Molecular Weight1627.19 g/mol
Exact Mass1625.60
IUPAC Name4-chloro-N-cyclopropyl-2-fluoro-5-(1-imidazo[1,2-a]pyridin-3-ylpyrazol-4-yl)benzamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide;N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethenyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-3-[1-[6-(1-hydroxyethenyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide
SMILESC=C(O)c1ccc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2c1.C=C(O)c1ccc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)n2c1.CNC(=O)c1ccc2ncc(-n3cnc(-c4cc(C(=O)NC5CC5)ccc4C)c3)n2c1.O=C(NC1CC1)c1cc(-c2cnn(-c3cnc4ccccn34)c2)c(Cl)cc1F
InChIInChI=1S/C23H20FN5O2.C23H22N6O2.C23H21N5O2.C20H15ClFN5O/c1-13-7-20(24)19(23(31)27-17-4-5-17)8-18(13)16-9-26-29(12-16)22-10-25-21-6-3-15(14(2)30)11-28(21)22;1-14-3-4-15(23(31)27-17-6-7-17)9-18(14)19-12-28(13-26-19)21-10-25-20-8-5-16(11-29(20)21)22(30)24-2;1-14-3-4-16(23(30)26-19-6-7-19)9-20(14)18-10-25-28(13-18)22-11-24-21-8-5-17(15(2)29)12-27(21)22;21-16-8-17(22)15(20(28)25-13-4-5-13)7-14(16)12-9-24-27(11-12)19-10-23-18-3-1-2-6-26(18)19/h3,6-12,17,30H,2,4-5H2,1H3,(H,27,31);3-5,8-13,17H,6-7H2,1-2H3,(H,24,30)(H,27,31);3-5,8-13,19,29H,2,6-7H2,1H3,(H,26,30);1-3,6-11,13H,4-5H2,(H,25,28)
InChIKeyZBPKKYBXDVCKSY-UHFFFAOYSA-N
XLogP14.59
TPSA326.44 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds19
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001627.19
LogP ≤ 514.59
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 4-chloro-N-cyclopropyl-2-fluoro-5-(1-imidazo[1,2-a]pyridin-3-ylpyrazol-4-yl)benzamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide;N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethenyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-3-[1-[6-(1-hydroxyethenyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-2-fluoro-5-(1-imidazo[1,2-a]pyridin-3-ylpyrazol-4-yl)benzamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide;N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethenyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-3-[1-[6-(1-hydroxyethenyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?
The IUPAC name of 4-chloro-N-cyclopropyl-2-fluoro-5-(1-imidazo[1,2-a]pyridin-3-ylpyrazol-4-yl)benzamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide;N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethenyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-3-[1-[6-(1-hydroxyethenyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide (CID 162075126) is 4-chloro-N-cyclopropyl-2-fluoro-5-(1-imidazo[1,2-a]pyridin-3-ylpyrazol-4-yl)benzamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide;N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethenyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-3-[1-[6-(1-hydroxyethenyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-2-fluoro-5-(1-imidazo[1,2-a]pyridin-3-ylpyrazol-4-yl)benzamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide;N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethenyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-3-[1-[6-(1-hydroxyethenyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-2-fluoro-5-(1-imidazo[1,2-a]pyridin-3-ylpyrazol-4-yl)benzamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide;N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethenyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-3-[1-[6-(1-hydroxyethenyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide is C=C(O)c1ccc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2c1.C=C(O)c1ccc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)n2c1.CNC(=O)c1ccc2ncc(-n3cnc(-c4cc(C(=O)NC5CC5)ccc4C)c3)n2c1.O=C(NC1CC1)c1cc(-c2cnn(-c3cnc4ccccn34)c2)c(Cl)cc1F.
What is the InChIKey of 4-chloro-N-cyclopropyl-2-fluoro-5-(1-imidazo[1,2-a]pyridin-3-ylpyrazol-4-yl)benzamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide;N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethenyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-3-[1-[6-(1-hydroxyethenyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?
The InChIKey is ZBPKKYBXDVCKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2.C23H22N6O2.C23H21N5O2.C20H15ClFN5O/c1-13-7-20(24)19(23(31)27-17-4-5-17)8-18(13)16-9-26-29(12-16)22-10-25-21-6-3-15(14(2)30)11-28(21)22;1-14-3-4-15(23(31)27-17-6-7-17)9-18(14)19-12-28(13-26-19)21-10-25-20-8-5-16(11-29(20)21)22(30)24-2;1-14-3-4-16(23(30)26-19-6-7-19)9-20(14)18-10-25-28(13-18)22-11-24-21-8-5-17(15(2)29)12-27(21)22;21-16-8-17(22)15(20(28)25-13-4-5-13)7-14(16)12-9-24-27(11-12)19-10-23-18-3-1-2-6-26(18)19/h3,6-12,17,30H,2,4-5H2,1H3,(H,27,31);3-5,8-13,17H,6-7H2,1-2H3,(H,24,30)(H,27,31);3-5,8-13,19,29H,2,6-7H2,1H3,(H,26,30);1-3,6-11,13H,4-5H2,(H,25,28).
What are the key properties of 4-chloro-N-cyclopropyl-2-fluoro-5-(1-imidazo[1,2-a]pyridin-3-ylpyrazol-4-yl)benzamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide;N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethenyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-3-[1-[6-(1-hydroxyethenyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?
4-chloro-N-cyclopropyl-2-fluoro-5-(1-imidazo[1,2-a]pyridin-3-ylpyrazol-4-yl)benzamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide;N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethenyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-3-[1-[6-(1-hydroxyethenyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide has a molecular weight of 1627.19 g/mol, XLogP of 14.59, 19 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-2-fluoro-5-(1-imidazo[1,2-a]pyridin-3-ylpyrazol-4-yl)benzamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide;N-cyclopropyl-2-fluoro-5-[1-[6-(1-hydroxyethenyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-3-[1-[6-(1-hydroxyethenyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide is sourced from PubChem (CID 162075126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).