N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide

C98H106Cl3N13O9 — CID 158232113

IUPACN-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3CCC(c4nc(-c5ccncc5)no4)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3CCC4(CC3)CC(=O)c3ccccc3O4)c12.COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3CCCN(CCc4ccccc4)CC3)c12
InChIInChI=1S/C33H39ClN4O2.C33H34ClN3O4.C32H33ClN6O3/c1-40-31-14-6-13-29-30(33(39)35-24-27-11-5-12-28(34)23-27)25-38(32(29)31)19-8-18-36-16-7-17-37(22-21-36)20-15-26-9-3-2-4-10-26;1-40-30-12-5-10-25-27(32(39)35-21-23-7-4-8-24(34)19-23)22-37(31(25)30)16-6-15-36-17-13-33(14-18-36)20-28(38)26-9-2-3-11-29(26)41-33;1-41-28-8-3-7-26-27(31(40)35-20-22-5-2-6-25(33)19-22)21-39(29(26)28)16-4-15-38-17-11-24(12-18-38)32-36-30(37-42-32)23-9-13-34-14-10-23/h2-6,9-14,23,25H,7-8,15-22,24H2,1H3,(H,35,39);2-5,7-12,19,22H,6,13-18,20-21H2,1H3,(H,35,39);2-3,5-10,13-14,19,21,24H,4,11-12,15-18,20H2,1H3,(H,35,40)
InChIKeyGEMRXVUYDHKQTC-UHFFFAOYSA-N
MW1716.37 g/mol
LogP17.95
Rot. Bonds29

About N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide

N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide (PubChem CID 158232113) has the molecular formula C98H106Cl3N13O9 and a molecular weight of 1716.37 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide
PubChem CID158232113
Molecular FormulaC98H106Cl3N13O9
Molecular Weight1716.37 g/mol
Exact Mass1713.73
IUPAC NameN-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3CCC(c4nc(-c5ccncc5)no4)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3CCC4(CC3)CC(=O)c3ccccc3O4)c12.COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3CCCN(CCc4ccccc4)CC3)c12
InChIInChI=1S/C33H39ClN4O2.C33H34ClN3O4.C32H33ClN6O3/c1-40-31-14-6-13-29-30(33(39)35-24-27-11-5-12-28(34)23-27)25-38(32(29)31)19-8-18-36-16-7-17-37(22-21-36)20-15-26-9-3-2-4-10-26;1-40-30-12-5-10-25-27(32(39)35-21-23-7-4-8-24(34)19-23)22-37(31(25)30)16-6-15-36-17-13-33(14-18-36)20-28(38)26-9-2-3-11-29(26)41-33;1-41-28-8-3-7-26-27(31(40)35-20-22-5-2-6-25(33)19-22)21-39(29(26)28)16-4-15-38-17-11-24(12-18-38)32-36-30(37-42-32)23-9-13-34-14-10-23/h2-6,9-14,23,25H,7-8,15-22,24H2,1H3,(H,35,39);2-5,7-12,19,22H,6,13-18,20-21H2,1H3,(H,35,39);2-3,5-10,13-14,19,21,24H,4,11-12,15-18,20H2,1H3,(H,35,40)
InChIKeyGEMRXVUYDHKQTC-UHFFFAOYSA-N
XLogP17.95
TPSA220.85 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds29
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001716.37
LogP ≤ 517.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide (CID 158232113) is N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide is COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3CCC(c4nc(-c5ccncc5)no4)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3CCC4(CC3)CC(=O)c3ccccc3O4)c12.COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3CCCN(CCc4ccccc4)CC3)c12.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide?
The InChIKey is GEMRXVUYDHKQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39ClN4O2.C33H34ClN3O4.C32H33ClN6O3/c1-40-31-14-6-13-29-30(33(39)35-24-27-11-5-12-28(34)23-27)25-38(32(29)31)19-8-18-36-16-7-17-37(22-21-36)20-15-26-9-3-2-4-10-26;1-40-30-12-5-10-25-27(32(39)35-21-23-7-4-8-24(34)19-23)22-37(31(25)30)16-6-15-36-17-13-33(14-18-36)20-28(38)26-9-2-3-11-29(26)41-33;1-41-28-8-3-7-26-27(31(40)35-20-22-5-2-6-25(33)19-22)21-39(29(26)28)16-4-15-38-17-11-24(12-18-38)32-36-30(37-42-32)23-9-13-34-14-10-23/h2-6,9-14,23,25H,7-8,15-22,24H2,1H3,(H,35,39);2-5,7-12,19,22H,6,13-18,20-21H2,1H3,(H,35,39);2-3,5-10,13-14,19,21,24H,4,11-12,15-18,20H2,1H3,(H,35,40).
What are the key properties of N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide?
N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide has a molecular weight of 1716.37 g/mol, XLogP of 17.95, 29 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide is sourced from PubChem (CID 158232113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).