O-[3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenyl]hydroxylamine;3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3-fluoro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine

C99H107F5N24O6 — CID 159724093

IUPACO-[3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenyl]hydroxylamine;3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3-fluoro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine
SMILESCNC(=O)c1cc(F)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C(C)C)c4)nc3c2)c1.COc1cc(F)cc(N(CCNC(C)C)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.COc1cc(OC)cc(N(CCCNCC(F)(F)F)c2ccc3ncc(-c4cnn(C(C)C)c4)nc3c2)c1.COc1cc(ON)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
InChIInChI=1S/C27H31F3N6O2.C26H27FN6O.C23H25FN6O.C23H24N6O2/c1-18(2)36-16-19(14-33-36)26-15-32-24-7-6-20(12-25(24)34-26)35(9-5-8-31-17-27(28,29)30)21-10-22(37-3)13-23(11-21)38-4;1-16(2)33-15-19(12-30-33)25-13-29-23-7-6-21(11-24(23)31-25)32(14-17-4-5-17)22-9-18(26(34)28-3)8-20(27)10-22;1-15(2)25-6-7-30(19-8-17(24)9-20(10-19)31-3)18-4-5-21-22(11-18)29-23(14-26-21)16-12-27-28-13-16;1-28-14-16(11-26-28)23-12-25-21-6-5-17(9-22(21)27-23)29(13-15-3-4-15)18-7-19(30-2)10-20(8-18)31-24/h6-7,10-16,18,31H,5,8-9,17H2,1-4H3;6-13,15-17H,4-5,14H2,1-3H3,(H,28,34);4-5,8-15,25H,6-7H2,1-3H3,(H,27,28);5-12,14-15H,3-4,13,24H2,1-2H3
InChIKeyNAKJCQZQAUFKJK-UHFFFAOYSA-N
MW1824.10 g/mol
LogP19.04
Rot. Bonds33

About O-[3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenyl]hydroxylamine;3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3-fluoro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine

O-[3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenyl]hydroxylamine;3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3-fluoro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine (PubChem CID 159724093) has the molecular formula C99H107F5N24O6 and a molecular weight of 1824.10 g/mol. Its IUPAC name is O-[3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenyl]hydroxylamine;3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3-fluoro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameO-[3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenyl]hydroxylamine;3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3-fluoro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine
PubChem CID159724093
Molecular FormulaC99H107F5N24O6
Molecular Weight1824.10 g/mol
Exact Mass1822.87
IUPAC NameO-[3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenyl]hydroxylamine;3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3-fluoro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine
SMILESCNC(=O)c1cc(F)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C(C)C)c4)nc3c2)c1.COc1cc(F)cc(N(CCNC(C)C)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.COc1cc(OC)cc(N(CCCNCC(F)(F)F)c2ccc3ncc(-c4cnn(C(C)C)c4)nc3c2)c1.COc1cc(ON)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
InChIInChI=1S/C27H31F3N6O2.C26H27FN6O.C23H25FN6O.C23H24N6O2/c1-18(2)36-16-19(14-33-36)26-15-32-24-7-6-20(12-25(24)34-26)35(9-5-8-31-17-27(28,29)30)21-10-22(37-3)13-23(11-21)38-4;1-16(2)33-15-19(12-30-33)25-13-29-23-7-6-21(11-24(23)31-25)32(14-17-4-5-17)22-9-18(26(34)28-3)8-20(27)10-22;1-15(2)25-6-7-30(19-8-17(24)9-20(10-19)31-3)18-4-5-21-22(11-18)29-23(14-26-21)16-12-27-28-13-16;1-28-14-16(11-26-28)23-12-25-21-6-5-17(9-22(21)27-23)29(13-15-3-4-15)18-7-19(30-2)10-20(8-18)31-24/h6-7,10-16,18,31H,5,8-9,17H2,1-4H3;6-13,15-17H,4-5,14H2,1-3H3,(H,28,34);4-5,8-15,25H,6-7H2,1-3H3,(H,27,28);5-12,14-15H,3-4,13,24H2,1-2H3
InChIKeyNAKJCQZQAUFKJK-UHFFFAOYSA-N
XLogP19.04
TPSA323.55 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds33
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001824.10
LogP ≤ 519.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze O-[3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenyl]hydroxylamine;3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3-fluoro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine 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 O-[3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenyl]hydroxylamine;3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3-fluoro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine?
The IUPAC name of O-[3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenyl]hydroxylamine;3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3-fluoro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine (CID 159724093) is O-[3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenyl]hydroxylamine;3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3-fluoro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine.
What is the SMILES notation for O-[3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenyl]hydroxylamine;3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3-fluoro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine?
The canonical SMILES for O-[3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenyl]hydroxylamine;3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3-fluoro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine is CNC(=O)c1cc(F)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C(C)C)c4)nc3c2)c1.COc1cc(F)cc(N(CCNC(C)C)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.COc1cc(OC)cc(N(CCCNCC(F)(F)F)c2ccc3ncc(-c4cnn(C(C)C)c4)nc3c2)c1.COc1cc(ON)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.
What is the InChIKey of O-[3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenyl]hydroxylamine;3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3-fluoro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine?
The InChIKey is NAKJCQZQAUFKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F3N6O2.C26H27FN6O.C23H25FN6O.C23H24N6O2/c1-18(2)36-16-19(14-33-36)26-15-32-24-7-6-20(12-25(24)34-26)35(9-5-8-31-17-27(28,29)30)21-10-22(37-3)13-23(11-21)38-4;1-16(2)33-15-19(12-30-33)25-13-29-23-7-6-21(11-24(23)31-25)32(14-17-4-5-17)22-9-18(26(34)28-3)8-20(27)10-22;1-15(2)25-6-7-30(19-8-17(24)9-20(10-19)31-3)18-4-5-21-22(11-18)29-23(14-26-21)16-12-27-28-13-16;1-28-14-16(11-26-28)23-12-25-21-6-5-17(9-22(21)27-23)29(13-15-3-4-15)18-7-19(30-2)10-20(8-18)31-24/h6-7,10-16,18,31H,5,8-9,17H2,1-4H3;6-13,15-17H,4-5,14H2,1-3H3,(H,28,34);4-5,8-15,25H,6-7H2,1-3H3,(H,27,28);5-12,14-15H,3-4,13,24H2,1-2H3.
What are the key properties of O-[3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenyl]hydroxylamine;3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3-fluoro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine?
O-[3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenyl]hydroxylamine;3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3-fluoro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine has a molecular weight of 1824.10 g/mol, XLogP of 19.04, 33 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for O-[3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenyl]hydroxylamine;3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3-fluoro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine is sourced from PubChem (CID 159724093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).