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;tert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;hydrochloride

C119H132ClF7N24O13 — CID 163523008

IUPACtert-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;tert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;hydrochloride
SMILESCOc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C1(F)CCN(C(=O)OC(C)(C)C)CC1.COc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C1(F)CCN(C)CC1.COc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C1(F)CCNCC1.COc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C1(O)CCN(C(=O)OC(C)(C)C)CC1.Cl
InChIInChI=1S/C32H36F2N6O4.C32H37FN6O5.C28H30F2N6O2.C27H28F2N6O2.ClH/c1-19-12-25(33)23(29(41)37-21-6-7-21)13-22(19)20-15-36-40(17-20)28-16-35-27-14-26(43-5)24(18-39(27)28)32(34)8-10-38(11-9-32)30(42)44-31(2,3)4;1-19-12-25(33)23(29(40)36-21-6-7-21)13-22(19)20-15-35-39(17-20)28-16-34-27-14-26(43-5)24(18-38(27)28)32(42)8-10-37(11-9-32)30(41)44-31(2,3)4;1-17-10-23(29)21(27(37)33-19-4-5-19)11-20(17)18-13-32-36(15-18)26-14-31-25-12-24(38-3)22(16-35(25)26)28(30)6-8-34(2)9-7-28;1-16-9-22(28)20(26(36)33-18-3-4-18)10-19(16)17-12-32-35(14-17)25-13-31-24-11-23(37-2)21(15-34(24)25)27(29)5-7-30-8-6-27;/h12-18,21H,6-11H2,1-5H3,(H,37,41);12-18,21,42H,6-11H2,1-5H3,(H,36,40);10-16,19H,4-9H2,1-3H3,(H,33,37);9-15,18,30H,3-8H2,1-2H3,(H,33,36);1H
InChIKeyLIVKYBCVYFNCEX-UHFFFAOYSA-N
MW2274.96 g/mol
LogP19.42
Rot. Bonds24

About 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;tert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;hydrochloride

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;tert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;hydrochloride (PubChem CID 163523008) has the molecular formula C119H132ClF7N24O13 and a molecular weight of 2274.96 g/mol. Its IUPAC name is 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;tert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;hydrochloride.

Molecular Properties

Compound Nametert-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;tert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;hydrochloride
PubChem CID163523008
Molecular FormulaC119H132ClF7N24O13
Molecular Weight2274.96 g/mol
Exact Mass2273.00
IUPAC Nametert-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;tert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;hydrochloride
SMILESCOc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C1(F)CCN(C(=O)OC(C)(C)C)CC1.COc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C1(F)CCN(C)CC1.COc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C1(F)CCNCC1.COc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C1(O)CCN(C(=O)OC(C)(C)C)CC1.Cl
InChIInChI=1S/C32H36F2N6O4.C32H37FN6O5.C28H30F2N6O2.C27H28F2N6O2.ClH/c1-19-12-25(33)23(29(41)37-21-6-7-21)13-22(19)20-15-36-40(17-20)28-16-35-27-14-26(43-5)24(18-39(27)28)32(34)8-10-38(11-9-32)30(42)44-31(2,3)4;1-19-12-25(33)23(29(40)36-21-6-7-21)13-22(19)20-15-35-39(17-20)28-16-34-27-14-26(43-5)24(18-38(27)28)32(42)8-10-37(11-9-32)30(41)44-31(2,3)4;1-17-10-23(29)21(27(37)33-19-4-5-19)11-20(17)18-13-32-36(15-18)26-14-31-25-12-24(38-3)22(16-35(25)26)28(30)6-8-34(2)9-7-28;1-16-9-22(28)20(26(36)33-18-3-4-18)10-19(16)17-12-32-35(14-17)25-13-31-24-11-23(37-2)21(15-34(24)25)27(29)5-7-30-8-6-27;/h12-18,21H,6-11H2,1-5H3,(H,37,41);12-18,21,42H,6-11H2,1-5H3,(H,36,40);10-16,19H,4-9H2,1-3H3,(H,33,37);9-15,18,30H,3-8H2,1-2H3,(H,33,36);1H
InChIKeyLIVKYBCVYFNCEX-UHFFFAOYSA-N
XLogP19.42
TPSA388.38 Ų
H-Bond Donors6
H-Bond Acceptors31
Rotatable Bonds24
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002274.96
LogP ≤ 519.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1031

Analyze 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;tert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;hydrochloride with MolForge

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Related Compounds

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-2-fluoro-5-[1-[6-(hydroxymethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide
CID 134328533
Tert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate
CID 134328534
Tert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-fluoropiperidine-1-carboxylate
CID 134328608
4-[3-[4-[5-(Cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylic acid
CID 134328609
Tert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate
CID 134338457
N-cyclopropyl-5-[1-[6-[1-(dimethylamino)-1-hydroxyethyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
CID 155015382
N-[2-(dimethylamino)ethyl]-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N,N-dimethyl-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-methyl-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 158122701
3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N,N-dimethylbenzamide;3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide;4-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[(4-methoxyphenyl)methyl]benzamide;3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;3-(1-methylpyrazol-4-yl)-2-pyrrolidin-3-ylimidazo[1,2-a]pyrazin-8-amine
CID 158278593
2-[2-(difluoromethoxy)-3-pyridinyl]-4-(methylamino)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-hydroxypropan-2-yl)phenyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[[4-(3H-pyrrol-2-yl)phenyl]methyl]purin-8-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propanoylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[8-oxo-2-(2-propan-2-ylphenyl)-9-[(4-pyrazol-1-ylphenyl)methyl]purin-7-yl]propanoic acid
CID 158637672
2-(1-benzyl-5,5-difluoropiperidin-3-yl)-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[6-cyclopropyl-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-(6-cyclopropyl-1-methylpiperidin-3-yl)-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[5,5-difluoro-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;1-[3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-indazol-5-yl]-2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;N-[(3R)-1-(4H-imidazol-2-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 159336030
N-cyclopropyl-4-[6-(4-fluoro-3-hydroxyanilino)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide;N-cyclopropyl-4-[6-(4-fluoro-3-methoxyanilino)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 161493658

Frequently Asked Questions

What is the IUPAC name of 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;tert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;hydrochloride?
The IUPAC name of 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;tert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;hydrochloride (CID 163523008) is 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;tert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;hydrochloride.
What is the SMILES notation for 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;tert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;hydrochloride?
The canonical SMILES for 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;tert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;hydrochloride is COc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C1(F)CCN(C(=O)OC(C)(C)C)CC1.COc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C1(F)CCN(C)CC1.COc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C1(F)CCNCC1.COc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C1(O)CCN(C(=O)OC(C)(C)C)CC1.Cl.
What is the InChIKey of 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;tert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;hydrochloride?
The InChIKey is LIVKYBCVYFNCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36F2N6O4.C32H37FN6O5.C28H30F2N6O2.C27H28F2N6O2.ClH/c1-19-12-25(33)23(29(41)37-21-6-7-21)13-22(19)20-15-36-40(17-20)28-16-35-27-14-26(43-5)24(18-39(27)28)32(34)8-10-38(11-9-32)30(42)44-31(2,3)4;1-19-12-25(33)23(29(40)36-21-6-7-21)13-22(19)20-15-35-39(17-20)28-16-34-27-14-26(43-5)24(18-38(27)28)32(42)8-10-37(11-9-32)30(41)44-31(2,3)4;1-17-10-23(29)21(27(37)33-19-4-5-19)11-20(17)18-13-32-36(15-18)26-14-31-25-12-24(38-3)22(16-35(25)26)28(30)6-8-34(2)9-7-28;1-16-9-22(28)20(26(36)33-18-3-4-18)10-19(16)17-12-32-35(14-17)25-13-31-24-11-23(37-2)21(15-34(24)25)27(29)5-7-30-8-6-27;/h12-18,21H,6-11H2,1-5H3,(H,37,41);12-18,21,42H,6-11H2,1-5H3,(H,36,40);10-16,19H,4-9H2,1-3H3,(H,33,37);9-15,18,30H,3-8H2,1-2H3,(H,33,36);1H.
What are the key properties of 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;tert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;hydrochloride?
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;tert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;hydrochloride has a molecular weight of 2274.96 g/mol, XLogP of 19.42, 24 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 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;tert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;hydrochloride is sourced from PubChem (CID 163523008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).