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;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

C87H95ClF6N18O8 — CID 158642759

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;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.Cl
InChIInChI=1S/C32H36F2N6O4.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;1-17-10-23(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);10-16,19H,4-9H2,1-3H3,(H,33,37);9-15,18,30H,3-8H2,1-2H3,(H,33,36);1H
InChIKeyJERXEIUZVOCWKB-UHFFFAOYSA-N
MW1670.28 g/mol
LogP14.66
Rot. Bonds18

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;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;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 158642759) has the molecular formula C87H95ClF6N18O8 and a molecular weight of 1670.28 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;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;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 CID158642759
Molecular FormulaC87H95ClF6N18O8
Molecular Weight1670.28 g/mol
Exact Mass1668.72
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;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.Cl
InChIInChI=1S/C32H36F2N6O4.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;1-17-10-23(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);10-16,19H,4-9H2,1-3H3,(H,33,37);9-15,18,30H,3-8H2,1-2H3,(H,33,36);1H
InChIKeyJERXEIUZVOCWKB-UHFFFAOYSA-N
XLogP14.66
TPSA265.16 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001670.28
LogP ≤ 514.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

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;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

US10138241, Example 94
CID 134328409
US10138241, Example 101
CID 134328431
US10138241, Example 96
CID 134328570
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-(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
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
N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
CID 134328579
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
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-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide
CID 134338463
4-[3-[4-[5-(Cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-fluoropiperidine-1-carboxylic acid
CID 153410231

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;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;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 158642759) 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;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;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;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.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;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 JERXEIUZVOCWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36F2N6O4.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;1-17-10-23(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);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;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;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 1670.28 g/mol, XLogP of 14.66, 18 rotatable bonds, 4 hydrogen bond donors, and 22 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;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 158642759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).