N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-methylpiperidin-1-yl)propanamide;N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-oxopiperidin-1-yl)propanamide;N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-oxopyrrolidin-1-yl)propanamide;(2R)-N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-piperidin-1-ylpropanamide

C104H136N20O6 — CID 158041385

IUPACN-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-methylpiperidin-1-yl)propanamide;N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-oxopiperidin-1-yl)propanamide;N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-oxopyrrolidin-1-yl)propanamide;(2R)-N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-piperidin-1-ylpropanamide
SMILESCC(C(=O)N(C)c1ccc2cc(-c3n[nH]c4c3CCC(C)(C)C4)[nH]c2c1)N1CCCC1=O.CC(C(=O)N(C)c1ccc2cc(-c3n[nH]c4c3CCC(C)(C)C4)[nH]c2c1)N1CCCCC1=O.CC1CCCCN1C(C)C(=O)N(C)c1ccc2cc(-c3n[nH]c4c3CCC(C)(C)C4)[nH]c2c1.C[C@H](C(=O)N(C)c1ccc2cc(-c3n[nH]c4c3CCC(C)(C)C4)[nH]c2c1)N1CCCCC1
InChIInChI=1S/C27H37N5O.C26H33N5O2.C26H35N5O.C25H31N5O2/c1-17-8-6-7-13-32(17)18(2)26(33)31(5)20-10-9-19-14-23(28-22(19)15-20)25-21-11-12-27(3,4)16-24(21)29-30-25;1-16(31-12-6-5-7-23(31)32)25(33)30(4)18-9-8-17-13-21(27-20(17)14-18)24-19-10-11-26(2,3)15-22(19)28-29-24;1-17(31-12-6-5-7-13-31)25(32)30(4)19-9-8-18-14-22(27-21(18)15-19)24-20-10-11-26(2,3)16-23(20)28-29-24;1-15(30-11-5-6-22(30)31)24(32)29(4)17-8-7-16-12-20(26-19(16)13-17)23-18-9-10-25(2,3)14-21(18)27-28-23/h9-10,14-15,17-18,28H,6-8,11-13,16H2,1-5H3,(H,29,30);8-9,13-14,16,27H,5-7,10-12,15H2,1-4H3,(H,28,29);8-9,14-15,17,27H,5-7,10-13,16H2,1-4H3,(H,28,29);7-8,12-13,15,26H,5-6,9-11,14H2,1-4H3,(H,27,28)/t;;17-;/m..1./s1
InChIKeyFIJXJKLUWLIMDR-YPATWDRESA-N
MW1762.37 g/mol
LogP18.69
Rot. Bonds16

About N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-methylpiperidin-1-yl)propanamide;N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-oxopiperidin-1-yl)propanamide;N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-oxopyrrolidin-1-yl)propanamide;(2R)-N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-piperidin-1-ylpropanamide

N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-methylpiperidin-1-yl)propanamide;N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-oxopiperidin-1-yl)propanamide;N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-oxopyrrolidin-1-yl)propanamide;(2R)-N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-piperidin-1-ylpropanamide (PubChem CID 158041385) has the molecular formula C104H136N20O6 and a molecular weight of 1762.37 g/mol. Its IUPAC name is N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-methylpiperidin-1-yl)propanamide;N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-oxopiperidin-1-yl)propanamide;N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-oxopyrrolidin-1-yl)propanamide;(2R)-N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-methylpiperidin-1-yl)propanamide;N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-oxopiperidin-1-yl)propanamide;N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-oxopyrrolidin-1-yl)propanamide;(2R)-N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-piperidin-1-ylpropanamide
PubChem CID158041385
Molecular FormulaC104H136N20O6
Molecular Weight1762.37 g/mol
Exact Mass1761.10
IUPAC NameN-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-methylpiperidin-1-yl)propanamide;N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-oxopiperidin-1-yl)propanamide;N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-oxopyrrolidin-1-yl)propanamide;(2R)-N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-piperidin-1-ylpropanamide
SMILESCC(C(=O)N(C)c1ccc2cc(-c3n[nH]c4c3CCC(C)(C)C4)[nH]c2c1)N1CCCC1=O.CC(C(=O)N(C)c1ccc2cc(-c3n[nH]c4c3CCC(C)(C)C4)[nH]c2c1)N1CCCCC1=O.CC1CCCCN1C(C)C(=O)N(C)c1ccc2cc(-c3n[nH]c4c3CCC(C)(C)C4)[nH]c2c1.C[C@H](C(=O)N(C)c1ccc2cc(-c3n[nH]c4c3CCC(C)(C)C4)[nH]c2c1)N1CCCCC1
InChIInChI=1S/C27H37N5O.C26H33N5O2.C26H35N5O.C25H31N5O2/c1-17-8-6-7-13-32(17)18(2)26(33)31(5)20-10-9-19-14-23(28-22(19)15-20)25-21-11-12-27(3,4)16-24(21)29-30-25;1-16(31-12-6-5-7-23(31)32)25(33)30(4)18-9-8-17-13-21(27-20(17)14-18)24-19-10-11-26(2,3)15-22(19)28-29-24;1-17(31-12-6-5-7-13-31)25(32)30(4)19-9-8-18-14-22(27-21(18)15-19)24-20-10-11-26(2,3)16-23(20)28-29-24;1-15(30-11-5-6-22(30)31)24(32)29(4)17-8-7-16-12-20(26-19(16)13-17)23-18-9-10-25(2,3)14-21(18)27-28-23/h9-10,14-15,17-18,28H,6-8,11-13,16H2,1-5H3,(H,29,30);8-9,13-14,16,27H,5-7,10-12,15H2,1-4H3,(H,28,29);8-9,14-15,17,27H,5-7,10-13,16H2,1-4H3,(H,28,29);7-8,12-13,15,26H,5-6,9-11,14H2,1-4H3,(H,27,28)/t;;17-;/m..1./s1
InChIKeyFIJXJKLUWLIMDR-YPATWDRESA-N
XLogP18.69
TPSA306.22 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms130
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001762.37
LogP ≤ 518.69
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Analyze N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-methylpiperidin-1-yl)propanamide;N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-oxopiperidin-1-yl)propanamide;N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-oxopyrrolidin-1-yl)propanamide;(2R)-N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-piperidin-1-ylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-methylpiperidin-1-yl)propanamide;N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-oxopiperidin-1-yl)propanamide;N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-oxopyrrolidin-1-yl)propanamide;(2R)-N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-piperidin-1-ylpropanamide?
The IUPAC name of N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-methylpiperidin-1-yl)propanamide;N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-oxopiperidin-1-yl)propanamide;N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-oxopyrrolidin-1-yl)propanamide;(2R)-N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-piperidin-1-ylpropanamide (CID 158041385) is N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-methylpiperidin-1-yl)propanamide;N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-oxopiperidin-1-yl)propanamide;N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-oxopyrrolidin-1-yl)propanamide;(2R)-N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-piperidin-1-ylpropanamide.
What is the SMILES notation for N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-methylpiperidin-1-yl)propanamide;N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-oxopiperidin-1-yl)propanamide;N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-oxopyrrolidin-1-yl)propanamide;(2R)-N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-piperidin-1-ylpropanamide?
The canonical SMILES for N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-methylpiperidin-1-yl)propanamide;N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-oxopiperidin-1-yl)propanamide;N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-oxopyrrolidin-1-yl)propanamide;(2R)-N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-piperidin-1-ylpropanamide is CC(C(=O)N(C)c1ccc2cc(-c3n[nH]c4c3CCC(C)(C)C4)[nH]c2c1)N1CCCC1=O.CC(C(=O)N(C)c1ccc2cc(-c3n[nH]c4c3CCC(C)(C)C4)[nH]c2c1)N1CCCCC1=O.CC1CCCCN1C(C)C(=O)N(C)c1ccc2cc(-c3n[nH]c4c3CCC(C)(C)C4)[nH]c2c1.C[C@H](C(=O)N(C)c1ccc2cc(-c3n[nH]c4c3CCC(C)(C)C4)[nH]c2c1)N1CCCCC1.
What is the InChIKey of N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-methylpiperidin-1-yl)propanamide;N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-oxopiperidin-1-yl)propanamide;N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-oxopyrrolidin-1-yl)propanamide;(2R)-N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-piperidin-1-ylpropanamide?
The InChIKey is FIJXJKLUWLIMDR-YPATWDRESA-N. The full InChI is InChI=1S/C27H37N5O.C26H33N5O2.C26H35N5O.C25H31N5O2/c1-17-8-6-7-13-32(17)18(2)26(33)31(5)20-10-9-19-14-23(28-22(19)15-20)25-21-11-12-27(3,4)16-24(21)29-30-25;1-16(31-12-6-5-7-23(31)32)25(33)30(4)18-9-8-17-13-21(27-20(17)14-18)24-19-10-11-26(2,3)15-22(19)28-29-24;1-17(31-12-6-5-7-13-31)25(32)30(4)19-9-8-18-14-22(27-21(18)15-19)24-20-10-11-26(2,3)16-23(20)28-29-24;1-15(30-11-5-6-22(30)31)24(32)29(4)17-8-7-16-12-20(26-19(16)13-17)23-18-9-10-25(2,3)14-21(18)27-28-23/h9-10,14-15,17-18,28H,6-8,11-13,16H2,1-5H3,(H,29,30);8-9,13-14,16,27H,5-7,10-12,15H2,1-4H3,(H,28,29);8-9,14-15,17,27H,5-7,10-13,16H2,1-4H3,(H,28,29);7-8,12-13,15,26H,5-6,9-11,14H2,1-4H3,(H,27,28)/t;;17-;/m..1./s1.
What are the key properties of N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-methylpiperidin-1-yl)propanamide;N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-oxopiperidin-1-yl)propanamide;N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-oxopyrrolidin-1-yl)propanamide;(2R)-N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-piperidin-1-ylpropanamide?
N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-methylpiperidin-1-yl)propanamide;N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-oxopiperidin-1-yl)propanamide;N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-oxopyrrolidin-1-yl)propanamide;(2R)-N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-piperidin-1-ylpropanamide has a molecular weight of 1762.37 g/mol, XLogP of 18.69, 16 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-methylpiperidin-1-yl)propanamide;N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-oxopiperidin-1-yl)propanamide;N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(2-oxopyrrolidin-1-yl)propanamide;(2R)-N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-piperidin-1-ylpropanamide is sourced from PubChem (CID 158041385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).