N-[3-(3,3-difluoroazetidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(3-piperidin-1-ylpyrrolidin-1-yl)propyl]quinoxalin-6-amine

C115H139F2N25O8 — CID 158379975

IUPACN-[3-(3,3-difluoroazetidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(3-piperidin-1-ylpyrrolidin-1-yl)propyl]quinoxalin-6-amine
SMILESCOc1cc(OC)cc(N(CCCN2CC(F)(F)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN2CCC(N3CCCCC3)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN2CCCCC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN2CCCCC2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
InChIInChI=1S/C32H41N7O2.C29H36N6O2.C28H34N6O2.C26H28F2N6O2/c1-36-22-24(20-34-36)32-21-33-30-9-8-25(18-31(30)35-32)39(27-16-28(40-2)19-29(17-27)41-3)14-7-11-37-15-10-26(23-37)38-12-5-4-6-13-38;1-21-8-5-6-11-34(21)12-7-13-35(24-14-25(36-3)17-26(15-24)37-4)23-9-10-27-28(16-23)32-29(19-30-27)22-18-31-33(2)20-22;1-32-20-21(18-30-32)28-19-29-26-9-8-22(16-27(26)31-28)34(13-7-12-33-10-5-4-6-11-33)23-14-24(35-2)17-25(15-23)36-3;1-32-15-18(13-30-32)25-14-29-23-6-5-19(11-24(23)31-25)34(8-4-7-33-16-26(27,28)17-33)20-9-21(35-2)12-22(10-20)36-3/h8-9,16-22,26H,4-7,10-15,23H2,1-3H3;9-10,14-21H,5-8,11-13H2,1-4H3;8-9,14-20H,4-7,10-13H2,1-3H3;5-6,9-15H,4,7-8,16-17H2,1-3H3
InChIKeyGVQYMLPNMGBPQQ-UHFFFAOYSA-N
MW2037.54 g/mol
LogP20.17
Rot. Bonds37

About N-[3-(3,3-difluoroazetidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(3-piperidin-1-ylpyrrolidin-1-yl)propyl]quinoxalin-6-amine

N-[3-(3,3-difluoroazetidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(3-piperidin-1-ylpyrrolidin-1-yl)propyl]quinoxalin-6-amine (PubChem CID 158379975) has the molecular formula C115H139F2N25O8 and a molecular weight of 2037.54 g/mol. Its IUPAC name is N-[3-(3,3-difluoroazetidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(3-piperidin-1-ylpyrrolidin-1-yl)propyl]quinoxalin-6-amine.

Molecular Properties

Compound NameN-[3-(3,3-difluoroazetidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(3-piperidin-1-ylpyrrolidin-1-yl)propyl]quinoxalin-6-amine
PubChem CID158379975
Molecular FormulaC115H139F2N25O8
Molecular Weight2037.54 g/mol
Exact Mass2036.12
IUPAC NameN-[3-(3,3-difluoroazetidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(3-piperidin-1-ylpyrrolidin-1-yl)propyl]quinoxalin-6-amine
SMILESCOc1cc(OC)cc(N(CCCN2CC(F)(F)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN2CCC(N3CCCCC3)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN2CCCCC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN2CCCCC2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
InChIInChI=1S/C32H41N7O2.C29H36N6O2.C28H34N6O2.C26H28F2N6O2/c1-36-22-24(20-34-36)32-21-33-30-9-8-25(18-31(30)35-32)39(27-16-28(40-2)19-29(17-27)41-3)14-7-11-37-15-10-26(23-37)38-12-5-4-6-13-38;1-21-8-5-6-11-34(21)12-7-13-35(24-14-25(36-3)17-26(15-24)37-4)23-9-10-27-28(16-23)32-29(19-30-27)22-18-31-33(2)20-22;1-32-20-21(18-30-32)28-19-29-26-9-8-22(16-27(26)31-28)34(13-7-12-33-10-5-4-6-11-33)23-14-24(35-2)17-25(15-23)36-3;1-32-15-18(13-30-32)25-14-29-23-6-5-19(11-24(23)31-25)34(8-4-7-33-16-26(27,28)17-33)20-9-21(35-2)12-22(10-20)36-3/h8-9,16-22,26H,4-7,10-15,23H2,1-3H3;9-10,14-21H,5-8,11-13H2,1-4H3;8-9,14-20H,4-7,10-13H2,1-3H3;5-6,9-15H,4,7-8,16-17H2,1-3H3
InChIKeyGVQYMLPNMGBPQQ-UHFFFAOYSA-N
XLogP20.17
TPSA277.40 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds37
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002037.54
LogP ≤ 520.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Analyze N-[3-(3,3-difluoroazetidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(3-piperidin-1-ylpyrrolidin-1-yl)propyl]quinoxalin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,3-difluoroazetidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(3-piperidin-1-ylpyrrolidin-1-yl)propyl]quinoxalin-6-amine?
The IUPAC name of N-[3-(3,3-difluoroazetidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(3-piperidin-1-ylpyrrolidin-1-yl)propyl]quinoxalin-6-amine (CID 158379975) is N-[3-(3,3-difluoroazetidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(3-piperidin-1-ylpyrrolidin-1-yl)propyl]quinoxalin-6-amine.
What is the SMILES notation for N-[3-(3,3-difluoroazetidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(3-piperidin-1-ylpyrrolidin-1-yl)propyl]quinoxalin-6-amine?
The canonical SMILES for N-[3-(3,3-difluoroazetidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(3-piperidin-1-ylpyrrolidin-1-yl)propyl]quinoxalin-6-amine is COc1cc(OC)cc(N(CCCN2CC(F)(F)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN2CCC(N3CCCCC3)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN2CCCCC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN2CCCCC2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.
What is the InChIKey of N-[3-(3,3-difluoroazetidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(3-piperidin-1-ylpyrrolidin-1-yl)propyl]quinoxalin-6-amine?
The InChIKey is GVQYMLPNMGBPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N7O2.C29H36N6O2.C28H34N6O2.C26H28F2N6O2/c1-36-22-24(20-34-36)32-21-33-30-9-8-25(18-31(30)35-32)39(27-16-28(40-2)19-29(17-27)41-3)14-7-11-37-15-10-26(23-37)38-12-5-4-6-13-38;1-21-8-5-6-11-34(21)12-7-13-35(24-14-25(36-3)17-26(15-24)37-4)23-9-10-27-28(16-23)32-29(19-30-27)22-18-31-33(2)20-22;1-32-20-21(18-30-32)28-19-29-26-9-8-22(16-27(26)31-28)34(13-7-12-33-10-5-4-6-11-33)23-14-24(35-2)17-25(15-23)36-3;1-32-15-18(13-30-32)25-14-29-23-6-5-19(11-24(23)31-25)34(8-4-7-33-16-26(27,28)17-33)20-9-21(35-2)12-22(10-20)36-3/h8-9,16-22,26H,4-7,10-15,23H2,1-3H3;9-10,14-21H,5-8,11-13H2,1-4H3;8-9,14-20H,4-7,10-13H2,1-3H3;5-6,9-15H,4,7-8,16-17H2,1-3H3.
What are the key properties of N-[3-(3,3-difluoroazetidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(3-piperidin-1-ylpyrrolidin-1-yl)propyl]quinoxalin-6-amine?
N-[3-(3,3-difluoroazetidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(3-piperidin-1-ylpyrrolidin-1-yl)propyl]quinoxalin-6-amine has a molecular weight of 2037.54 g/mol, XLogP of 20.17, 37 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,3-difluoroazetidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(3-piperidin-1-ylpyrrolidin-1-yl)propyl]quinoxalin-6-amine is sourced from PubChem (CID 158379975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).