5-[1-[6-(chloromethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide

C48H48ClF2N11O4 — CID 158541021

IUPAC5-[1-[6-(chloromethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
SMILESCOc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1CCl.COc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1CN(C)C
InChIInChI=1S/C25H27FN6O2.C23H21ClFN5O2/c1-15-7-21(26)20(25(33)29-18-5-6-18)8-19(15)16-10-28-32(14-16)24-11-27-23-9-22(34-4)17(12-30(2)3)13-31(23)24;1-13-5-19(25)18(23(31)28-16-3-4-16)6-17(13)15-9-27-30(12-15)22-10-26-21-7-20(32-2)14(8-24)11-29(21)22/h7-11,13-14,18H,5-6,12H2,1-4H3,(H,29,33);5-7,9-12,16H,3-4,8H2,1-2H3,(H,28,31)
InChIKeyHONDEZFISHPXDC-UHFFFAOYSA-N
MW916.43 g/mol
LogP7.87
Rot. Bonds13

About 5-[1-[6-(chloromethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide

5-[1-[6-(chloromethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide (PubChem CID 158541021) has the molecular formula C48H48ClF2N11O4 and a molecular weight of 916.43 g/mol. Its IUPAC name is 5-[1-[6-(chloromethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name5-[1-[6-(chloromethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
PubChem CID158541021
Molecular FormulaC48H48ClF2N11O4
Molecular Weight916.43 g/mol
Exact Mass915.35
IUPAC Name5-[1-[6-(chloromethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
SMILESCOc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1CCl.COc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1CN(C)C
InChIInChI=1S/C25H27FN6O2.C23H21ClFN5O2/c1-15-7-21(26)20(25(33)29-18-5-6-18)8-19(15)16-10-28-32(14-16)24-11-27-23-9-22(34-4)17(12-30(2)3)13-31(23)24;1-13-5-19(25)18(23(31)28-16-3-4-16)6-17(13)15-9-27-30(12-15)22-10-26-21-7-20(32-2)14(8-24)11-29(21)22/h7-11,13-14,18H,5-6,12H2,1-4H3,(H,29,33);5-7,9-12,16H,3-4,8H2,1-2H3,(H,28,31)
InChIKeyHONDEZFISHPXDC-UHFFFAOYSA-N
XLogP7.87
TPSA150.14 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500916.43
LogP ≤ 57.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 5-[1-[6-(chloromethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide with MolForge

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Related Compounds

US10138241, Example 94
CID 134328409
US10138241, Example 101
CID 134328431
US10138241, Example 95
CID 134328445
US10138241, Example 1
CID 134328472
US10138241, Example 96
CID 134328570
US10138241, Example 85
CID 134328462
US10138241, Example 86
CID 134328486
US10138241, Example 31
CID 134328580
Tert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]-4-fluoropiperidine-1-carboxylate
CID 134328422
N-cyclopropyl-5-[1-[6-(dimethylamino)-7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
CID 134328447
N-cyclopropyl-2-fluoro-5-[[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]methyl]benzamide
CID 134328467
N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-3-methylbenzamide
CID 134328469

Frequently Asked Questions

What is the IUPAC name of 5-[1-[6-(chloromethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The IUPAC name of 5-[1-[6-(chloromethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide (CID 158541021) is 5-[1-[6-(chloromethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide.
What is the SMILES notation for 5-[1-[6-(chloromethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The canonical SMILES for 5-[1-[6-(chloromethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide is COc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1CCl.COc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1CN(C)C.
What is the InChIKey of 5-[1-[6-(chloromethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The InChIKey is HONDEZFISHPXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O2.C23H21ClFN5O2/c1-15-7-21(26)20(25(33)29-18-5-6-18)8-19(15)16-10-28-32(14-16)24-11-27-23-9-22(34-4)17(12-30(2)3)13-31(23)24;1-13-5-19(25)18(23(31)28-16-3-4-16)6-17(13)15-9-27-30(12-15)22-10-26-21-7-20(32-2)14(8-24)11-29(21)22/h7-11,13-14,18H,5-6,12H2,1-4H3,(H,29,33);5-7,9-12,16H,3-4,8H2,1-2H3,(H,28,31).
What are the key properties of 5-[1-[6-(chloromethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
5-[1-[6-(chloromethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide has a molecular weight of 916.43 g/mol, XLogP of 7.87, 13 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[6-(chloromethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 158541021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).