ethane;N-[[2-(2-methoxyphenyl)-3-methyl-1H-indol-5-yl]methyl]-4-methylpyrimidine-5-carboxamide;4-methyl-N-[[3-methyl-2-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]pyrimidine-5-carboxamide;molecular hydrogen

C47H63N9O3 — CID 156814121

IUPACethane;N-[[2-(2-methoxyphenyl)-3-methyl-1H-indol-5-yl]methyl]-4-methylpyrimidine-5-carboxamide;4-methyl-N-[[3-methyl-2-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]pyrimidine-5-carboxamide;molecular hydrogen
SMILESCC.COc1ccccc1-c1[nH]c2ccc(CNC(=O)c3cncnc3C)cc2c1C.Cc1ncncc1C(=O)NCc1ccc2[nH]c(C3CCN(C)CC3)c(C)c2c1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C23H22N4O2.C22H27N5O.C2H6.4H2/c1-14-18-10-16(11-25-23(28)19-12-24-13-26-15(19)2)8-9-20(18)27-22(14)17-6-4-5-7-21(17)29-3;1-14-18-10-16(11-24-22(28)19-12-23-13-25-15(19)2)4-5-20(18)26-21(14)17-6-8-27(3)9-7-17;1-2;;;;/h4-10,12-13,27H,11H2,1-3H3,(H,25,28);4-5,10,12-13,17,26H,6-9,11H2,1-3H3,(H,24,28);1-2H3;4*1H
InChIKeySPZIJDIFWYIASK-UHFFFAOYSA-N
MW802.08 g/mol
LogP9.50
Rot. Bonds9

About ethane;N-[[2-(2-methoxyphenyl)-3-methyl-1H-indol-5-yl]methyl]-4-methylpyrimidine-5-carboxamide;4-methyl-N-[[3-methyl-2-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]pyrimidine-5-carboxamide;molecular hydrogen

ethane;N-[[2-(2-methoxyphenyl)-3-methyl-1H-indol-5-yl]methyl]-4-methylpyrimidine-5-carboxamide;4-methyl-N-[[3-methyl-2-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]pyrimidine-5-carboxamide;molecular hydrogen (PubChem CID 156814121) has the molecular formula C47H63N9O3 and a molecular weight of 802.08 g/mol. Its IUPAC name is ethane;N-[[2-(2-methoxyphenyl)-3-methyl-1H-indol-5-yl]methyl]-4-methylpyrimidine-5-carboxamide;4-methyl-N-[[3-methyl-2-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]pyrimidine-5-carboxamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-[[2-(2-methoxyphenyl)-3-methyl-1H-indol-5-yl]methyl]-4-methylpyrimidine-5-carboxamide;4-methyl-N-[[3-methyl-2-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]pyrimidine-5-carboxamide;molecular hydrogen
PubChem CID156814121
Molecular FormulaC47H63N9O3
Molecular Weight802.08 g/mol
Exact Mass801.51
IUPAC Nameethane;N-[[2-(2-methoxyphenyl)-3-methyl-1H-indol-5-yl]methyl]-4-methylpyrimidine-5-carboxamide;4-methyl-N-[[3-methyl-2-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]pyrimidine-5-carboxamide;molecular hydrogen
SMILESCC.COc1ccccc1-c1[nH]c2ccc(CNC(=O)c3cncnc3C)cc2c1C.Cc1ncncc1C(=O)NCc1ccc2[nH]c(C3CCN(C)CC3)c(C)c2c1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C23H22N4O2.C22H27N5O.C2H6.4H2/c1-14-18-10-16(11-25-23(28)19-12-24-13-26-15(19)2)8-9-20(18)27-22(14)17-6-4-5-7-21(17)29-3;1-14-18-10-16(11-24-22(28)19-12-23-13-25-15(19)2)4-5-20(18)26-21(14)17-6-8-27(3)9-7-17;1-2;;;;/h4-10,12-13,27H,11H2,1-3H3,(H,25,28);4-5,10,12-13,17,26H,6-9,11H2,1-3H3,(H,24,28);1-2H3;4*1H
InChIKeySPZIJDIFWYIASK-UHFFFAOYSA-N
XLogP9.50
TPSA153.81 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.08
LogP ≤ 59.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze ethane;N-[[2-(2-methoxyphenyl)-3-methyl-1H-indol-5-yl]methyl]-4-methylpyrimidine-5-carboxamide;4-methyl-N-[[3-methyl-2-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]pyrimidine-5-carboxamide;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;N-[[2-(2-methoxyphenyl)-3-methyl-1H-indol-5-yl]methyl]-4-methylpyrimidine-5-carboxamide;4-methyl-N-[[3-methyl-2-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]pyrimidine-5-carboxamide;molecular hydrogen?
The IUPAC name of ethane;N-[[2-(2-methoxyphenyl)-3-methyl-1H-indol-5-yl]methyl]-4-methylpyrimidine-5-carboxamide;4-methyl-N-[[3-methyl-2-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]pyrimidine-5-carboxamide;molecular hydrogen (CID 156814121) is ethane;N-[[2-(2-methoxyphenyl)-3-methyl-1H-indol-5-yl]methyl]-4-methylpyrimidine-5-carboxamide;4-methyl-N-[[3-methyl-2-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]pyrimidine-5-carboxamide;molecular hydrogen.
What is the SMILES notation for ethane;N-[[2-(2-methoxyphenyl)-3-methyl-1H-indol-5-yl]methyl]-4-methylpyrimidine-5-carboxamide;4-methyl-N-[[3-methyl-2-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]pyrimidine-5-carboxamide;molecular hydrogen?
The canonical SMILES for ethane;N-[[2-(2-methoxyphenyl)-3-methyl-1H-indol-5-yl]methyl]-4-methylpyrimidine-5-carboxamide;4-methyl-N-[[3-methyl-2-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]pyrimidine-5-carboxamide;molecular hydrogen is CC.COc1ccccc1-c1[nH]c2ccc(CNC(=O)c3cncnc3C)cc2c1C.Cc1ncncc1C(=O)NCc1ccc2[nH]c(C3CCN(C)CC3)c(C)c2c1.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of ethane;N-[[2-(2-methoxyphenyl)-3-methyl-1H-indol-5-yl]methyl]-4-methylpyrimidine-5-carboxamide;4-methyl-N-[[3-methyl-2-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]pyrimidine-5-carboxamide;molecular hydrogen?
The InChIKey is SPZIJDIFWYIASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2.C22H27N5O.C2H6.4H2/c1-14-18-10-16(11-25-23(28)19-12-24-13-26-15(19)2)8-9-20(18)27-22(14)17-6-4-5-7-21(17)29-3;1-14-18-10-16(11-24-22(28)19-12-23-13-25-15(19)2)4-5-20(18)26-21(14)17-6-8-27(3)9-7-17;1-2;;;;/h4-10,12-13,27H,11H2,1-3H3,(H,25,28);4-5,10,12-13,17,26H,6-9,11H2,1-3H3,(H,24,28);1-2H3;4*1H.
What are the key properties of ethane;N-[[2-(2-methoxyphenyl)-3-methyl-1H-indol-5-yl]methyl]-4-methylpyrimidine-5-carboxamide;4-methyl-N-[[3-methyl-2-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]pyrimidine-5-carboxamide;molecular hydrogen?
ethane;N-[[2-(2-methoxyphenyl)-3-methyl-1H-indol-5-yl]methyl]-4-methylpyrimidine-5-carboxamide;4-methyl-N-[[3-methyl-2-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]pyrimidine-5-carboxamide;molecular hydrogen has a molecular weight of 802.08 g/mol, XLogP of 9.50, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[[2-(2-methoxyphenyl)-3-methyl-1H-indol-5-yl]methyl]-4-methylpyrimidine-5-carboxamide;4-methyl-N-[[3-methyl-2-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]pyrimidine-5-carboxamide;molecular hydrogen is sourced from PubChem (CID 156814121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).