4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indazol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(5-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(1,3-thiazol-2-yl)acetyl]phenyl]indazol-5-yl]benzamide

C96H92N14O6S3 — CID 160963005

IUPAC4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indazol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(5-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(1,3-thiazol-2-yl)acetyl]phenyl]indazol-5-yl]benzamide
SMILESCC1CCN(c2ccc(C(=O)Nc3ccc4c(cnn4-c4ccc(C(=O)Cc5nccs5)cc4)c3)cc2)CC1.Cc1cnc(CC(=O)c2ccc(-n3ccc4cc(NC(=O)c5ccc(N6CCC(C)CC6)cc5)ccc43)cc2)s1.Cc1csc(CC(=O)c2ccc(-n3ncc4cc(NC(=O)c5ccc(N6CCC(C)CC6)cc5)ccc43)cc2)n1
InChIInChI=1S/C33H32N4O2S.C32H31N5O2S.C31H29N5O2S/c1-22-13-16-36(17-14-22)28-8-5-25(6-9-28)33(39)35-27-7-12-30-26(19-27)15-18-37(30)29-10-3-24(4-11-29)31(38)20-32-34-21-23(2)40-32;1-21-13-15-36(16-14-21)27-8-5-24(6-9-27)32(39)35-26-7-12-29-25(17-26)19-33-37(29)28-10-3-23(4-11-28)30(38)18-31-34-22(2)20-40-31;1-21-12-15-35(16-13-21)26-7-4-23(5-8-26)31(38)34-25-6-11-28-24(18-25)20-33-36(28)27-9-2-22(3-10-27)29(37)19-30-32-14-17-39-30/h3-12,15,18-19,21-22H,13-14,16-17,20H2,1-2H3,(H,35,39);3-12,17,19-21H,13-16,18H2,1-2H3,(H,35,39);2-11,14,17-18,20-21H,12-13,15-16,19H2,1H3,(H,34,38)
InChIKeySXGBDZYEPDFKFK-UHFFFAOYSA-N
MW1634.08 g/mol
LogP20.41
Rot. Bonds21

About 4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indazol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(5-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(1,3-thiazol-2-yl)acetyl]phenyl]indazol-5-yl]benzamide

4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indazol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(5-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(1,3-thiazol-2-yl)acetyl]phenyl]indazol-5-yl]benzamide (PubChem CID 160963005) has the molecular formula C96H92N14O6S3 and a molecular weight of 1634.08 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indazol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(5-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(1,3-thiazol-2-yl)acetyl]phenyl]indazol-5-yl]benzamide.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indazol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(5-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(1,3-thiazol-2-yl)acetyl]phenyl]indazol-5-yl]benzamide
PubChem CID160963005
Molecular FormulaC96H92N14O6S3
Molecular Weight1634.08 g/mol
Exact Mass1632.65
IUPAC Name4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indazol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(5-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(1,3-thiazol-2-yl)acetyl]phenyl]indazol-5-yl]benzamide
SMILESCC1CCN(c2ccc(C(=O)Nc3ccc4c(cnn4-c4ccc(C(=O)Cc5nccs5)cc4)c3)cc2)CC1.Cc1cnc(CC(=O)c2ccc(-n3ccc4cc(NC(=O)c5ccc(N6CCC(C)CC6)cc5)ccc43)cc2)s1.Cc1csc(CC(=O)c2ccc(-n3ncc4cc(NC(=O)c5ccc(N6CCC(C)CC6)cc5)ccc43)cc2)n1
InChIInChI=1S/C33H32N4O2S.C32H31N5O2S.C31H29N5O2S/c1-22-13-16-36(17-14-22)28-8-5-25(6-9-28)33(39)35-27-7-12-30-26(19-27)15-18-37(30)29-10-3-24(4-11-29)31(38)20-32-34-21-23(2)40-32;1-21-13-15-36(16-14-21)27-8-5-24(6-9-27)32(39)35-26-7-12-29-25(17-26)19-33-37(29)28-10-3-23(4-11-28)30(38)18-31-34-22(2)20-40-31;1-21-12-15-35(16-13-21)26-7-4-23(5-8-26)31(38)34-25-6-11-28-24(18-25)20-33-36(28)27-9-2-22(3-10-27)29(37)19-30-32-14-17-39-30/h3-12,15,18-19,21-22H,13-14,16-17,20H2,1-2H3,(H,35,39);3-12,17,19-21H,13-16,18H2,1-2H3,(H,35,39);2-11,14,17-18,20-21H,12-13,15-16,19H2,1H3,(H,34,38)
InChIKeySXGBDZYEPDFKFK-UHFFFAOYSA-N
XLogP20.41
TPSA227.47 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms119
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001634.08
LogP ≤ 520.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Analyze 4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indazol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(5-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(1,3-thiazol-2-yl)acetyl]phenyl]indazol-5-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indazol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(5-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(1,3-thiazol-2-yl)acetyl]phenyl]indazol-5-yl]benzamide?
The IUPAC name of 4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indazol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(5-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(1,3-thiazol-2-yl)acetyl]phenyl]indazol-5-yl]benzamide (CID 160963005) is 4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indazol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(5-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(1,3-thiazol-2-yl)acetyl]phenyl]indazol-5-yl]benzamide.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indazol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(5-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(1,3-thiazol-2-yl)acetyl]phenyl]indazol-5-yl]benzamide?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indazol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(5-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(1,3-thiazol-2-yl)acetyl]phenyl]indazol-5-yl]benzamide is CC1CCN(c2ccc(C(=O)Nc3ccc4c(cnn4-c4ccc(C(=O)Cc5nccs5)cc4)c3)cc2)CC1.Cc1cnc(CC(=O)c2ccc(-n3ccc4cc(NC(=O)c5ccc(N6CCC(C)CC6)cc5)ccc43)cc2)s1.Cc1csc(CC(=O)c2ccc(-n3ncc4cc(NC(=O)c5ccc(N6CCC(C)CC6)cc5)ccc43)cc2)n1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indazol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(5-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(1,3-thiazol-2-yl)acetyl]phenyl]indazol-5-yl]benzamide?
The InChIKey is SXGBDZYEPDFKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N4O2S.C32H31N5O2S.C31H29N5O2S/c1-22-13-16-36(17-14-22)28-8-5-25(6-9-28)33(39)35-27-7-12-30-26(19-27)15-18-37(30)29-10-3-24(4-11-29)31(38)20-32-34-21-23(2)40-32;1-21-13-15-36(16-14-21)27-8-5-24(6-9-27)32(39)35-26-7-12-29-25(17-26)19-33-37(29)28-10-3-23(4-11-28)30(38)18-31-34-22(2)20-40-31;1-21-12-15-35(16-13-21)26-7-4-23(5-8-26)31(38)34-25-6-11-28-24(18-25)20-33-36(28)27-9-2-22(3-10-27)29(37)19-30-32-14-17-39-30/h3-12,15,18-19,21-22H,13-14,16-17,20H2,1-2H3,(H,35,39);3-12,17,19-21H,13-16,18H2,1-2H3,(H,35,39);2-11,14,17-18,20-21H,12-13,15-16,19H2,1H3,(H,34,38).
What are the key properties of 4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indazol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(5-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(1,3-thiazol-2-yl)acetyl]phenyl]indazol-5-yl]benzamide?
4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indazol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(5-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(1,3-thiazol-2-yl)acetyl]phenyl]indazol-5-yl]benzamide has a molecular weight of 1634.08 g/mol, XLogP of 20.41, 21 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indazol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(5-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(1,3-thiazol-2-yl)acetyl]phenyl]indazol-5-yl]benzamide is sourced from PubChem (CID 160963005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).