N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide

C93H98FN25O8S3 — CID 159566558

IUPACN-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)(=O)N4CCN(C)CC4)cn23)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc(-n3cccn3)s2)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)(=O)N4CCN(C)CC4)cn23)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3n2CCCC3)c1
InChIInChI=1S/C26H28FN7O3S.C26H29N7O3S.C21H23N5O.C20H18N6OS/c1-17-11-23(27)22(26(35)30-19-3-4-19)12-21(17)18-13-29-34(15-18)25-14-28-24-6-5-20(16-33(24)25)38(36,37)32-9-7-31(2)8-10-32;1-18-3-4-19(26(34)29-21-5-6-21)13-23(18)20-14-28-33(16-20)25-15-27-24-8-7-22(17-32(24)25)37(35,36)31-11-9-30(2)10-12-31;1-14-5-6-15(21(27)24-17-7-8-17)10-18(14)16-11-23-26(13-16)20-12-22-19-4-2-3-9-25(19)20;1-13-3-4-14(19(27)24-16-5-6-16)9-17(13)15-10-23-26(12-15)18-11-21-20(28-18)25-8-2-7-22-25/h5-6,11-16,19H,3-4,7-10H2,1-2H3,(H,30,35);3-4,7-8,13-17,21H,5-6,9-12H2,1-2H3,(H,29,34);5-6,10-13,17H,2-4,7-9H2,1H3,(H,24,27);2-4,7-12,16H,5-6H2,1H3,(H,24,27)
InChIKeyMHGRCOKUDXJJFX-UHFFFAOYSA-N
MW1809.17 g/mol
LogP11.44
Rot. Bonds21

About N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide

N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide (PubChem CID 159566558) has the molecular formula C93H98FN25O8S3 and a molecular weight of 1809.17 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide
PubChem CID159566558
Molecular FormulaC93H98FN25O8S3
Molecular Weight1809.17 g/mol
Exact Mass1807.72
IUPAC NameN-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)(=O)N4CCN(C)CC4)cn23)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc(-n3cccn3)s2)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)(=O)N4CCN(C)CC4)cn23)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3n2CCCC3)c1
InChIInChI=1S/C26H28FN7O3S.C26H29N7O3S.C21H23N5O.C20H18N6OS/c1-17-11-23(27)22(26(35)30-19-3-4-19)12-21(17)18-13-29-34(15-18)25-14-28-24-6-5-20(16-33(24)25)38(36,37)32-9-7-31(2)8-10-32;1-18-3-4-19(26(34)29-21-5-6-21)13-23(18)20-14-28-33(16-20)25-15-27-24-8-7-22(17-32(24)25)37(35,36)31-11-9-30(2)10-12-31;1-14-5-6-15(21(27)24-17-7-8-17)10-18(14)16-11-23-26(13-16)20-12-22-19-4-2-3-9-25(19)20;1-13-3-4-14(19(27)24-16-5-6-16)9-17(13)15-10-23-26(12-15)18-11-21-20(28-18)25-8-2-7-22-25/h5-6,11-16,19H,3-4,7-10H2,1-2H3,(H,30,35);3-4,7-8,13-17,21H,5-6,9-12H2,1-2H3,(H,29,34);5-6,10-13,17H,2-4,7-9H2,1H3,(H,24,27);2-4,7-12,16H,5-6H2,1H3,(H,24,27)
InChIKeyMHGRCOKUDXJJFX-UHFFFAOYSA-N
XLogP11.44
TPSA352.05 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds21
Heavy Atoms130
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001809.17
LogP ≤ 511.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Analyze N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide (CID 159566558) is N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide is Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)(=O)N4CCN(C)CC4)cn23)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc(-n3cccn3)s2)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)(=O)N4CCN(C)CC4)cn23)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3n2CCCC3)c1.
What is the InChIKey of N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide?
The InChIKey is MHGRCOKUDXJJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN7O3S.C26H29N7O3S.C21H23N5O.C20H18N6OS/c1-17-11-23(27)22(26(35)30-19-3-4-19)12-21(17)18-13-29-34(15-18)25-14-28-24-6-5-20(16-33(24)25)38(36,37)32-9-7-31(2)8-10-32;1-18-3-4-19(26(34)29-21-5-6-21)13-23(18)20-14-28-33(16-20)25-15-27-24-8-7-22(17-32(24)25)37(35,36)31-11-9-30(2)10-12-31;1-14-5-6-15(21(27)24-17-7-8-17)10-18(14)16-11-23-26(13-16)20-12-22-19-4-2-3-9-25(19)20;1-13-3-4-14(19(27)24-16-5-6-16)9-17(13)15-10-23-26(12-15)18-11-21-20(28-18)25-8-2-7-22-25/h5-6,11-16,19H,3-4,7-10H2,1-2H3,(H,30,35);3-4,7-8,13-17,21H,5-6,9-12H2,1-2H3,(H,29,34);5-6,10-13,17H,2-4,7-9H2,1H3,(H,24,27);2-4,7-12,16H,5-6H2,1H3,(H,24,27).
What are the key properties of N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide?
N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide has a molecular weight of 1809.17 g/mol, XLogP of 11.44, 21 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 159566558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).