3-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]-1,1,1-trifluoropropan-2-ol;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidin-2-one;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine — IUPAC name, SMILES, InChIKey & properties

Name: 3-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]-1,1,1-trifluoropropan-2-ol;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidin-2-one;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 3-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]-1,1,1-trifluoropropan-2-ol;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidin-2-one;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine

3-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]-1,1,1-trifluoropropan-2-ol;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidin-2-one;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine (PubChem CID 159525539) has the molecular formula C77H83F3N20O8 and a molecular weight of 1473.64 g/mol. Its IUPAC name is 3-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]-1,1,1-trifluoropropan-2-ol;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidin-2-one;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine.

Molecular Properties

Compound Name	3-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]-1,1,1-trifluoropropan-2-ol;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidin-2-one;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine
PubChem CID	159525539
Molecular Formula	C77H83F3N20O8
Molecular Weight	1473.64 g/mol
Exact Mass	1472.67
IUPAC Name	3-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]-1,1,1-trifluoropropan-2-ol;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidin-2-one;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine
SMILES	COc1cc(OC)cc(N(CCCN2CCCCC2=O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCNCC(O)C(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCn2cncn2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
InChI	InChI=1S/C28H32N6O3.C25H27F3N6O3.C24H24N8O2/c1-32-19-20(17-30-32)27-18-29-25-9-8-21(15-26(25)31-27)34(12-6-11-33-10-5-4-7-28(33)35)22-13-23(36-2)16-24(14-22)37-3;1-33-15-16(12-31-33)23-13-30-21-5-4-17(10-22(21)32-23)34(7-6-29-14-24(35)25(26,27)28)18-8-19(36-2)11-20(9-18)37-3;1-30-14-17(12-27-30)24-13-26-22-5-4-18(10-23(22)29-24)32(7-6-31-16-25-15-28-31)19-8-20(33-2)11-21(9-19)34-3/h8-9,13-19H,4-7,10-12H2,1-3H3;4-5,8-13,15,24,29,35H,6-7,14H2,1-3H3;4-5,8-16H,6-7H2,1-3H3
InChIKey	MCIIGPJJRAFGNR-UHFFFAOYSA-N
XLogP	11.76
TPSA	279.18 Å²
H-Bond Donors	2
H-Bond Acceptors	27
Rotatable Bonds	27
Heavy Atoms	108
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1473.64
LogP ≤ 5	11.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]-1,1,1-trifluoropropan-2-ol;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidin-2-one;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine with MolForge

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

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]-1,1,1-trifluoropropan-2-ol;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidin-2-one;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine?

The IUPAC name of 3-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]-1,1,1-trifluoropropan-2-ol;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidin-2-one;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine (CID 159525539) is 3-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]-1,1,1-trifluoropropan-2-ol;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidin-2-one;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine.

What is the SMILES notation for 3-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]-1,1,1-trifluoropropan-2-ol;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidin-2-one;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine?

The canonical SMILES for 3-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]-1,1,1-trifluoropropan-2-ol;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidin-2-one;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine is COc1cc(OC)cc(N(CCCN2CCCCC2=O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCNCC(O)C(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCn2cncn2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of 3-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]-1,1,1-trifluoropropan-2-ol;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidin-2-one;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine?

The InChIKey is MCIIGPJJRAFGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O3.C25H27F3N6O3.C24H24N8O2/c1-32-19-20(17-30-32)27-18-29-25-9-8-21(15-26(25)31-27)34(12-6-11-33-10-5-4-7-28(33)35)22-13-23(36-2)16-24(14-22)37-3;1-33-15-16(12-31-33)23-13-30-21-5-4-17(10-22(21)32-23)34(7-6-29-14-24(35)25(26,27)28)18-8-19(36-2)11-20(9-18)37-3;1-30-14-17(12-27-30)24-13-26-22-5-4-18(10-23(22)29-24)32(7-6-31-16-25-15-28-31)19-8-20(33-2)11-21(9-19)34-3/h8-9,13-19H,4-7,10-12H2,1-3H3;4-5,8-13,15,24,29,35H,6-7,14H2,1-3H3;4-5,8-16H,6-7H2,1-3H3.

What are the key properties of 3-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]-1,1,1-trifluoropropan-2-ol;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidin-2-one;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine?

Where does this data come from?

All data for 3-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]-1,1,1-trifluoropropan-2-ol;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidin-2-one;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine is sourced from PubChem (CID 159525539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).