2-[4-[7-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]quinoxalin-2-yl]pyrazol-1-yl]-N-methylethanamine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-amine;4-(3,5-dimethoxyphenyl)-4-[3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]quinoxalin-6-yl]butan-1-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;3-[[3-[1-(2-hydroxyethyl)pyrazol-4-yl]quinoxalin-6-yl]-(3-hydroxypropyl)amino]-5-methoxy-N-methylbenzamide

C133H153N27O15 — CID 159958988

IUPAC2-[4-[7-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]quinoxalin-2-yl]pyrazol-1-yl]-N-methylethanamine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-amine;4-(3,5-dimethoxyphenyl)-4-[3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]quinoxalin-6-yl]butan-1-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;3-[[3-[1-(2-hydroxyethyl)pyrazol-4-yl]quinoxalin-6-yl]-(3-hydroxypropyl)amino]-5-methoxy-N-methylbenzamide
SMILESCNC(=O)c1cc(OC)cc(N(CCCO)c2ccc3ncc(-c4cnn(CCO)c4)nc3c2)c1.CNCCn1cc(-c2cnc3ccc(C(CC4CC4)c4cc(OC)cc(OC)c4)cc3n2)cn1.CNCCn1cc(-c2cnc3ccc(C(CCCO)c4cc(OC)cc(OC)c4)cc3n2)cn1.COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(CC5CCOCC5)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN)c2ccc3ncc(-c4cnn(C5CCCCO5)c4)nc3c2)c1
InChIInChI=1S/C29H33N5O3.C27H31N5O2.C26H30N6O3.C26H31N5O3.C25H28N6O4/c1-35-25-11-24(12-26(14-25)36-2)34(18-20-3-4-20)23-5-6-27-28(13-23)32-29(16-30-27)22-15-31-33(19-22)17-21-7-9-37-10-8-21;1-28-8-9-32-17-21(15-30-32)27-16-29-25-7-6-19(13-26(25)31-27)24(10-18-4-5-18)20-11-22(33-2)14-23(12-20)34-3;1-33-21-11-20(12-22(14-21)34-2)31(9-8-27)19-6-7-23-24(13-19)30-25(16-28-23)18-15-29-32(17-18)26-5-3-4-10-35-26;1-27-8-9-31-17-20(15-29-31)26-16-28-24-7-6-18(13-25(24)30-26)23(5-4-10-32)19-11-21(33-2)14-22(12-19)34-3;1-26-25(34)17-10-20(12-21(11-17)35-2)31(6-3-8-32)19-4-5-22-23(13-19)29-24(15-27-22)18-14-28-30(16-18)7-9-33/h5-6,11-16,19-21H,3-4,7-10,17-18H2,1-2H3;6-7,11-18,24,28H,4-5,8-10H2,1-3H3;6-7,11-17,26H,3-5,8-10,27H2,1-2H3;6-7,11-17,23,27,32H,4-5,8-10H2,1-3H3;4-5,10-16,32-33H,3,6-9H2,1-2H3,(H,26,34)
InChIKeyODBRDVBYXICCEE-UHFFFAOYSA-N
MW2369.86 g/mol
LogP20.46
Rot. Bonds48

About 2-[4-[7-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]quinoxalin-2-yl]pyrazol-1-yl]-N-methylethanamine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-amine;4-(3,5-dimethoxyphenyl)-4-[3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]quinoxalin-6-yl]butan-1-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;3-[[3-[1-(2-hydroxyethyl)pyrazol-4-yl]quinoxalin-6-yl]-(3-hydroxypropyl)amino]-5-methoxy-N-methylbenzamide

2-[4-[7-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]quinoxalin-2-yl]pyrazol-1-yl]-N-methylethanamine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-amine;4-(3,5-dimethoxyphenyl)-4-[3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]quinoxalin-6-yl]butan-1-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;3-[[3-[1-(2-hydroxyethyl)pyrazol-4-yl]quinoxalin-6-yl]-(3-hydroxypropyl)amino]-5-methoxy-N-methylbenzamide (PubChem CID 159958988) has the molecular formula C133H153N27O15 and a molecular weight of 2369.86 g/mol. Its IUPAC name is 2-[4-[7-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]quinoxalin-2-yl]pyrazol-1-yl]-N-methylethanamine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-amine;4-(3,5-dimethoxyphenyl)-4-[3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]quinoxalin-6-yl]butan-1-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;3-[[3-[1-(2-hydroxyethyl)pyrazol-4-yl]quinoxalin-6-yl]-(3-hydroxypropyl)amino]-5-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name2-[4-[7-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]quinoxalin-2-yl]pyrazol-1-yl]-N-methylethanamine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-amine;4-(3,5-dimethoxyphenyl)-4-[3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]quinoxalin-6-yl]butan-1-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;3-[[3-[1-(2-hydroxyethyl)pyrazol-4-yl]quinoxalin-6-yl]-(3-hydroxypropyl)amino]-5-methoxy-N-methylbenzamide
PubChem CID159958988
Molecular FormulaC133H153N27O15
Molecular Weight2369.86 g/mol
Exact Mass2368.20
IUPAC Name2-[4-[7-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]quinoxalin-2-yl]pyrazol-1-yl]-N-methylethanamine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-amine;4-(3,5-dimethoxyphenyl)-4-[3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]quinoxalin-6-yl]butan-1-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;3-[[3-[1-(2-hydroxyethyl)pyrazol-4-yl]quinoxalin-6-yl]-(3-hydroxypropyl)amino]-5-methoxy-N-methylbenzamide
SMILESCNC(=O)c1cc(OC)cc(N(CCCO)c2ccc3ncc(-c4cnn(CCO)c4)nc3c2)c1.CNCCn1cc(-c2cnc3ccc(C(CC4CC4)c4cc(OC)cc(OC)c4)cc3n2)cn1.CNCCn1cc(-c2cnc3ccc(C(CCCO)c4cc(OC)cc(OC)c4)cc3n2)cn1.COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(CC5CCOCC5)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN)c2ccc3ncc(-c4cnn(C5CCCCO5)c4)nc3c2)c1
InChIInChI=1S/C29H33N5O3.C27H31N5O2.C26H30N6O3.C26H31N5O3.C25H28N6O4/c1-35-25-11-24(12-26(14-25)36-2)34(18-20-3-4-20)23-5-6-27-28(13-23)32-29(16-30-27)22-15-31-33(19-22)17-21-7-9-37-10-8-21;1-28-8-9-32-17-21(15-30-32)27-16-29-25-7-6-19(13-26(25)31-27)24(10-18-4-5-18)20-11-22(33-2)14-23(12-20)34-3;1-33-21-11-20(12-22(14-21)34-2)31(9-8-27)19-6-7-23-24(13-19)30-25(16-28-23)18-15-29-32(17-18)26-5-3-4-10-35-26;1-27-8-9-31-17-20(15-29-31)26-16-28-24-7-6-18(13-25(24)30-26)23(5-4-10-32)19-11-21(33-2)14-22(12-19)34-3;1-26-25(34)17-10-20(12-21(11-17)35-2)31(6-3-8-32)19-4-5-22-23(13-19)29-24(15-27-22)18-14-28-30(16-18)7-9-33/h5-6,11-16,19-21H,3-4,7-10,17-18H2,1-2H3;6-7,11-18,24,28H,4-5,8-10H2,1-3H3;6-7,11-17,26H,3-5,8-10,27H2,1-2H3;6-7,11-17,23,27,32H,4-5,8-10H2,1-3H3;4-5,10-16,32-33H,3,6-9H2,1-2H3,(H,26,34)
InChIKeyODBRDVBYXICCEE-UHFFFAOYSA-N
XLogP20.46
TPSA469.12 Ų
H-Bond Donors7
H-Bond Acceptors41
Rotatable Bonds48
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002369.86
LogP ≤ 520.46
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1041

Analyze 2-[4-[7-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]quinoxalin-2-yl]pyrazol-1-yl]-N-methylethanamine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-amine;4-(3,5-dimethoxyphenyl)-4-[3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]quinoxalin-6-yl]butan-1-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;3-[[3-[1-(2-hydroxyethyl)pyrazol-4-yl]quinoxalin-6-yl]-(3-hydroxypropyl)amino]-5-methoxy-N-methylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]quinoxalin-2-yl]pyrazol-1-yl]-N-methylethanamine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-amine;4-(3,5-dimethoxyphenyl)-4-[3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]quinoxalin-6-yl]butan-1-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;3-[[3-[1-(2-hydroxyethyl)pyrazol-4-yl]quinoxalin-6-yl]-(3-hydroxypropyl)amino]-5-methoxy-N-methylbenzamide?
The IUPAC name of 2-[4-[7-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]quinoxalin-2-yl]pyrazol-1-yl]-N-methylethanamine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-amine;4-(3,5-dimethoxyphenyl)-4-[3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]quinoxalin-6-yl]butan-1-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;3-[[3-[1-(2-hydroxyethyl)pyrazol-4-yl]quinoxalin-6-yl]-(3-hydroxypropyl)amino]-5-methoxy-N-methylbenzamide (CID 159958988) is 2-[4-[7-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]quinoxalin-2-yl]pyrazol-1-yl]-N-methylethanamine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-amine;4-(3,5-dimethoxyphenyl)-4-[3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]quinoxalin-6-yl]butan-1-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;3-[[3-[1-(2-hydroxyethyl)pyrazol-4-yl]quinoxalin-6-yl]-(3-hydroxypropyl)amino]-5-methoxy-N-methylbenzamide.
What is the SMILES notation for 2-[4-[7-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]quinoxalin-2-yl]pyrazol-1-yl]-N-methylethanamine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-amine;4-(3,5-dimethoxyphenyl)-4-[3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]quinoxalin-6-yl]butan-1-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;3-[[3-[1-(2-hydroxyethyl)pyrazol-4-yl]quinoxalin-6-yl]-(3-hydroxypropyl)amino]-5-methoxy-N-methylbenzamide?
The canonical SMILES for 2-[4-[7-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]quinoxalin-2-yl]pyrazol-1-yl]-N-methylethanamine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-amine;4-(3,5-dimethoxyphenyl)-4-[3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]quinoxalin-6-yl]butan-1-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;3-[[3-[1-(2-hydroxyethyl)pyrazol-4-yl]quinoxalin-6-yl]-(3-hydroxypropyl)amino]-5-methoxy-N-methylbenzamide is CNC(=O)c1cc(OC)cc(N(CCCO)c2ccc3ncc(-c4cnn(CCO)c4)nc3c2)c1.CNCCn1cc(-c2cnc3ccc(C(CC4CC4)c4cc(OC)cc(OC)c4)cc3n2)cn1.CNCCn1cc(-c2cnc3ccc(C(CCCO)c4cc(OC)cc(OC)c4)cc3n2)cn1.COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(CC5CCOCC5)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN)c2ccc3ncc(-c4cnn(C5CCCCO5)c4)nc3c2)c1.
What is the InChIKey of 2-[4-[7-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]quinoxalin-2-yl]pyrazol-1-yl]-N-methylethanamine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-amine;4-(3,5-dimethoxyphenyl)-4-[3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]quinoxalin-6-yl]butan-1-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;3-[[3-[1-(2-hydroxyethyl)pyrazol-4-yl]quinoxalin-6-yl]-(3-hydroxypropyl)amino]-5-methoxy-N-methylbenzamide?
The InChIKey is ODBRDVBYXICCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O3.C27H31N5O2.C26H30N6O3.C26H31N5O3.C25H28N6O4/c1-35-25-11-24(12-26(14-25)36-2)34(18-20-3-4-20)23-5-6-27-28(13-23)32-29(16-30-27)22-15-31-33(19-22)17-21-7-9-37-10-8-21;1-28-8-9-32-17-21(15-30-32)27-16-29-25-7-6-19(13-26(25)31-27)24(10-18-4-5-18)20-11-22(33-2)14-23(12-20)34-3;1-33-21-11-20(12-22(14-21)34-2)31(9-8-27)19-6-7-23-24(13-19)30-25(16-28-23)18-15-29-32(17-18)26-5-3-4-10-35-26;1-27-8-9-31-17-20(15-29-31)26-16-28-24-7-6-18(13-25(24)30-26)23(5-4-10-32)19-11-21(33-2)14-22(12-19)34-3;1-26-25(34)17-10-20(12-21(11-17)35-2)31(6-3-8-32)19-4-5-22-23(13-19)29-24(15-27-22)18-14-28-30(16-18)7-9-33/h5-6,11-16,19-21H,3-4,7-10,17-18H2,1-2H3;6-7,11-18,24,28H,4-5,8-10H2,1-3H3;6-7,11-17,26H,3-5,8-10,27H2,1-2H3;6-7,11-17,23,27,32H,4-5,8-10H2,1-3H3;4-5,10-16,32-33H,3,6-9H2,1-2H3,(H,26,34).
What are the key properties of 2-[4-[7-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]quinoxalin-2-yl]pyrazol-1-yl]-N-methylethanamine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-amine;4-(3,5-dimethoxyphenyl)-4-[3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]quinoxalin-6-yl]butan-1-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;3-[[3-[1-(2-hydroxyethyl)pyrazol-4-yl]quinoxalin-6-yl]-(3-hydroxypropyl)amino]-5-methoxy-N-methylbenzamide?
2-[4-[7-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]quinoxalin-2-yl]pyrazol-1-yl]-N-methylethanamine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-amine;4-(3,5-dimethoxyphenyl)-4-[3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]quinoxalin-6-yl]butan-1-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;3-[[3-[1-(2-hydroxyethyl)pyrazol-4-yl]quinoxalin-6-yl]-(3-hydroxypropyl)amino]-5-methoxy-N-methylbenzamide has a molecular weight of 2369.86 g/mol, XLogP of 20.46, 48 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]quinoxalin-2-yl]pyrazol-1-yl]-N-methylethanamine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-amine;4-(3,5-dimethoxyphenyl)-4-[3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]quinoxalin-6-yl]butan-1-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;3-[[3-[1-(2-hydroxyethyl)pyrazol-4-yl]quinoxalin-6-yl]-(3-hydroxypropyl)amino]-5-methoxy-N-methylbenzamide is sourced from PubChem (CID 159958988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).