cyclopropyl-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]methanone;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;[3-methoxy-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]phenyl]methanol

C86H103N19O7 — CID 164955756

IUPACcyclopropyl-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]methanone;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;[3-methoxy-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]phenyl]methanol
SMILESCOc1cc(CO)cc(N(CCCN2CCCC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN2[C@@H](C)CC[C@@H]2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2CCN(C(=O)C3CC3)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
InChIInChI=1S/C30H35N7O3.C29H36N6O2.C27H32N6O2/c1-34-20-22(18-32-34)29-19-31-27-7-6-23(16-28(27)33-29)37(24-14-25(39-2)17-26(15-24)40-3)13-10-35-8-11-36(12-9-35)30(38)21-4-5-21;1-20-7-8-21(2)34(20)11-6-12-35(24-13-25(36-4)16-26(14-24)37-5)23-9-10-27-28(15-23)32-29(18-30-27)22-17-31-33(3)19-22;1-31-18-21(16-29-31)27-17-28-25-7-6-22(15-26(25)30-27)33(11-5-10-32-8-3-4-9-32)23-12-20(19-34)13-24(14-23)35-2/h6-7,14-21H,4-5,8-13H2,1-3H3;9-10,13-21H,6-8,11-12H2,1-5H3;6-7,12-18,34H,3-5,8-11,19H2,1-2H3/t;20-,21-;/m.0./s1
InChIKeyBDJYUBZWVMYGPK-BHFWMSKISA-N
MW1514.90 g/mol
LogP13.34
Rot. Bonds27

About cyclopropyl-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]methanone;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;[3-methoxy-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]phenyl]methanol

cyclopropyl-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]methanone;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;[3-methoxy-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]phenyl]methanol (PubChem CID 164955756) has the molecular formula C86H103N19O7 and a molecular weight of 1514.90 g/mol. Its IUPAC name is cyclopropyl-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]methanone;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;[3-methoxy-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]phenyl]methanol.

Molecular Properties

Compound Namecyclopropyl-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]methanone;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;[3-methoxy-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]phenyl]methanol
PubChem CID164955756
Molecular FormulaC86H103N19O7
Molecular Weight1514.90 g/mol
Exact Mass1513.83
IUPAC Namecyclopropyl-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]methanone;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;[3-methoxy-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]phenyl]methanol
SMILESCOc1cc(CO)cc(N(CCCN2CCCC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN2[C@@H](C)CC[C@@H]2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2CCN(C(=O)C3CC3)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
InChIInChI=1S/C30H35N7O3.C29H36N6O2.C27H32N6O2/c1-34-20-22(18-32-34)29-19-31-27-7-6-23(16-28(27)33-29)37(24-14-25(39-2)17-26(15-24)40-3)13-10-35-8-11-36(12-9-35)30(38)21-4-5-21;1-20-7-8-21(2)34(20)11-6-12-35(24-13-25(36-4)16-26(14-24)37-5)23-9-10-27-28(15-23)32-29(18-30-27)22-17-31-33(3)19-22;1-31-18-21(16-29-31)27-17-28-25-7-6-22(15-26(25)30-27)33(11-5-10-32-8-3-4-9-32)23-12-20(19-34)13-24(14-23)35-2/h6-7,14-21H,4-5,8-13H2,1-3H3;9-10,13-21H,6-8,11-12H2,1-5H3;6-7,12-18,34H,3-5,8-11,19H2,1-2H3/t;20-,21-;/m.0./s1
InChIKeyBDJYUBZWVMYGPK-BHFWMSKISA-N
XLogP13.34
TPSA236.93 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds27
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001514.90
LogP ≤ 513.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Analyze cyclopropyl-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]methanone;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;[3-methoxy-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]phenyl]methanol with MolForge

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Related Compounds

4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-2-one;2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]ethanol;1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidin-2-one;[3-methoxy-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]phenyl]methanol
CID 159186128
N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(3-piperidin-1-ylpyrrolidin-1-yl)propyl]quinoxalin-6-amine
CID 89447143
N-[(6-chloro-3-pyridinyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-2-one;2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]ethanol;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
CID 159082279
N-(3,5-dimethoxyphenyl)-N-[2-(3-ethynylpiperidin-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
CID 122644007
N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)quinoxalin-6-amine;hydrochloride
CID 54591287
N-(3,5-dimethoxyphenyl)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
CID 89447288
methyl 6-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)hexanoate
CID 156768545
N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;hydrochloride
CID 134152555
3-(3,5-dimethoxy-N-[3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]quinoxalin-6-yl]anilino)propan-1-ol;N-(3,5-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;methane;2-[3-methoxy-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]phenoxy]ethanol
CID 165096159
N-but-3-ynyl-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine
CID 122644046
2-[3-(2-fluoroethoxy)-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino]ethanol
CID 89447385
2-(3,5-dimethoxy-N-[3-[1-(trideuteriomethyl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethanol
CID 118014706

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]methanone;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;[3-methoxy-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]phenyl]methanol?
The IUPAC name of cyclopropyl-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]methanone;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;[3-methoxy-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]phenyl]methanol (CID 164955756) is cyclopropyl-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]methanone;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;[3-methoxy-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]phenyl]methanol.
What is the SMILES notation for cyclopropyl-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]methanone;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;[3-methoxy-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]phenyl]methanol?
The canonical SMILES for cyclopropyl-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]methanone;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;[3-methoxy-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]phenyl]methanol is COc1cc(CO)cc(N(CCCN2CCCC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN2[C@@H](C)CC[C@@H]2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2CCN(C(=O)C3CC3)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.
What is the InChIKey of cyclopropyl-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]methanone;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;[3-methoxy-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]phenyl]methanol?
The InChIKey is BDJYUBZWVMYGPK-BHFWMSKISA-N. The full InChI is InChI=1S/C30H35N7O3.C29H36N6O2.C27H32N6O2/c1-34-20-22(18-32-34)29-19-31-27-7-6-23(16-28(27)33-29)37(24-14-25(39-2)17-26(15-24)40-3)13-10-35-8-11-36(12-9-35)30(38)21-4-5-21;1-20-7-8-21(2)34(20)11-6-12-35(24-13-25(36-4)16-26(14-24)37-5)23-9-10-27-28(15-23)32-29(18-30-27)22-17-31-33(3)19-22;1-31-18-21(16-29-31)27-17-28-25-7-6-22(15-26(25)30-27)33(11-5-10-32-8-3-4-9-32)23-12-20(19-34)13-24(14-23)35-2/h6-7,14-21H,4-5,8-13H2,1-3H3;9-10,13-21H,6-8,11-12H2,1-5H3;6-7,12-18,34H,3-5,8-11,19H2,1-2H3/t;20-,21-;/m.0./s1.
What are the key properties of cyclopropyl-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]methanone;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;[3-methoxy-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]phenyl]methanol?
cyclopropyl-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]methanone;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;[3-methoxy-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]phenyl]methanol has a molecular weight of 1514.90 g/mol, XLogP of 13.34, 27 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]methanone;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;[3-methoxy-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]phenyl]methanol is sourced from PubChem (CID 164955756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).