N-[1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide

C106H112F3N15O9 — CID 159528822

IUPACN-[1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(C(C)(O)C(F)(F)F)cc1.CC(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(C2CCC(=O)N2)cc1.CC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(C2CCC(=O)N2)cc1.CC(=O)Nc1ccc2c(ccn2Cc2ccc(-c3ccn(C)n3)cc2)c1.CC(=O)Nc1ccc2c(ccn2Cc2ccc(C3CCC(=O)N3)cc2)c1
InChIInChI=1S/C22H25N3O2.C21H23F3N2O2.C21H20N4O.C21H23N3O2.C21H21N3O2/c1-15(26)23-19-8-10-21-18(13-19)3-2-12-25(21)14-16-4-6-17(7-5-16)20-9-11-22(27)24-20;1-14(27)25-18-9-10-19-16(12-18)4-3-11-26(19)13-15-5-7-17(8-6-15)20(2,28)21(22,23)24;1-15(26)22-19-7-8-21-18(13-19)9-12-25(21)14-16-3-5-17(6-4-16)20-10-11-24(2)23-20;2*1-14(25)22-18-6-8-20-17(12-18)10-11-24(20)13-15-2-4-16(5-3-15)19-7-9-21(26)23-19/h4-8,10,13,20H,2-3,9,11-12,14H2,1H3,(H,23,26)(H,24,27);5-10,12,28H,3-4,11,13H2,1-2H3,(H,25,27);3-13H,14H2,1-2H3,(H,22,26);2-6,8,12,19H,7,9-11,13H2,1H3,(H,22,25)(H,23,26);2-6,8,10-12,19H,7,9,13H2,1H3,(H,22,25)(H,23,26)
InChIKeyMCSPRPUJPQYHEE-UHFFFAOYSA-N
MW1797.15 g/mol
LogP18.72
Rot. Bonds20

About N-[1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide

N-[1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide (PubChem CID 159528822) has the molecular formula C106H112F3N15O9 and a molecular weight of 1797.15 g/mol. Its IUPAC name is N-[1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
PubChem CID159528822
Molecular FormulaC106H112F3N15O9
Molecular Weight1797.15 g/mol
Exact Mass1795.87
IUPAC NameN-[1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(C(C)(O)C(F)(F)F)cc1.CC(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(C2CCC(=O)N2)cc1.CC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(C2CCC(=O)N2)cc1.CC(=O)Nc1ccc2c(ccn2Cc2ccc(-c3ccn(C)n3)cc2)c1.CC(=O)Nc1ccc2c(ccn2Cc2ccc(C3CCC(=O)N3)cc2)c1
InChIInChI=1S/C22H25N3O2.C21H23F3N2O2.C21H20N4O.C21H23N3O2.C21H21N3O2/c1-15(26)23-19-8-10-21-18(13-19)3-2-12-25(21)14-16-4-6-17(7-5-16)20-9-11-22(27)24-20;1-14(27)25-18-9-10-19-16(12-18)4-3-11-26(19)13-15-5-7-17(8-6-15)20(2,28)21(22,23)24;1-15(26)22-19-7-8-21-18(13-19)9-12-25(21)14-16-3-5-17(6-4-16)20-10-11-24(2)23-20;2*1-14(25)22-18-6-8-20-17(12-18)10-11-24(20)13-15-2-4-16(5-3-15)19-7-9-21(26)23-19/h4-8,10,13,20H,2-3,9,11-12,14H2,1H3,(H,23,26)(H,24,27);5-10,12,28H,3-4,11,13H2,1-2H3,(H,25,27);3-13H,14H2,1-2H3,(H,22,26);2-6,8,12,19H,7,9-11,13H2,1H3,(H,22,25)(H,23,26);2-6,8,10-12,19H,7,9,13H2,1H3,(H,22,25)(H,23,26)
InChIKeyMCSPRPUJPQYHEE-UHFFFAOYSA-N
XLogP18.72
TPSA290.43 Ų
H-Bond Donors9
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms133
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001797.15
LogP ≤ 518.72
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide?
The IUPAC name of N-[1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide (CID 159528822) is N-[1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide.
What is the SMILES notation for N-[1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide?
The canonical SMILES for N-[1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide is CC(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(C(C)(O)C(F)(F)F)cc1.CC(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(C2CCC(=O)N2)cc1.CC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(C2CCC(=O)N2)cc1.CC(=O)Nc1ccc2c(ccn2Cc2ccc(-c3ccn(C)n3)cc2)c1.CC(=O)Nc1ccc2c(ccn2Cc2ccc(C3CCC(=O)N3)cc2)c1.
What is the InChIKey of N-[1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide?
The InChIKey is MCSPRPUJPQYHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2.C21H23F3N2O2.C21H20N4O.C21H23N3O2.C21H21N3O2/c1-15(26)23-19-8-10-21-18(13-19)3-2-12-25(21)14-16-4-6-17(7-5-16)20-9-11-22(27)24-20;1-14(27)25-18-9-10-19-16(12-18)4-3-11-26(19)13-15-5-7-17(8-6-15)20(2,28)21(22,23)24;1-15(26)22-19-7-8-21-18(13-19)9-12-25(21)14-16-3-5-17(6-4-16)20-10-11-24(2)23-20;2*1-14(25)22-18-6-8-20-17(12-18)10-11-24(20)13-15-2-4-16(5-3-15)19-7-9-21(26)23-19/h4-8,10,13,20H,2-3,9,11-12,14H2,1H3,(H,23,26)(H,24,27);5-10,12,28H,3-4,11,13H2,1-2H3,(H,25,27);3-13H,14H2,1-2H3,(H,22,26);2-6,8,12,19H,7,9-11,13H2,1H3,(H,22,25)(H,23,26);2-6,8,10-12,19H,7,9,13H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide?
N-[1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide has a molecular weight of 1797.15 g/mol, XLogP of 18.72, 20 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide is sourced from PubChem (CID 159528822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).