3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxybenzamide;3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N-(3,5-dimethoxyphenyl)-N-[(1-ethylimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol

C102H107F3N24O8 — CID 165077303

IUPAC3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxybenzamide;3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N-(3,5-dimethoxyphenyl)-N-[(1-ethylimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol
SMILESCCn1ccnc1CN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1.CNC(=O)c1cc(F)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C(C)C)c4)nc3c2)c1.COc1cc(C(N)=O)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CC(O)C(C)(F)F)c2ccc3ncc(-c4cnn(C(C)C)c4)nc3c2)c1
InChIInChI=1S/C26H29F2N5O3.C26H27FN6O.C26H27N7O2.C24H24N6O2/c1-16(2)33-14-17(12-30-33)24-13-29-22-7-6-18(10-23(22)31-24)32(15-25(34)26(3,27)28)19-8-20(35-4)11-21(9-19)36-5;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;1-5-32-9-8-27-26(32)17-33(20-10-21(34-3)13-22(11-20)35-4)19-6-7-23-24(12-19)30-25(15-28-23)18-14-29-31(2)16-18;1-29-14-17(11-27-29)23-12-26-21-6-5-18(10-22(21)28-23)30(13-15-3-4-15)19-7-16(24(25)31)8-20(9-19)32-2/h6-14,16,25,34H,15H2,1-5H3;6-13,15-17H,4-5,14H2,1-3H3,(H,28,34);6-16H,5,17H2,1-4H3;5-12,14-15H,3-4,13H2,1-2H3,(H2,25,31)
InChIKeyUNFBIFNKZPCCOR-UHFFFAOYSA-N
MW1854.13 g/mol
LogP18.65
Rot. Bonds31

About 3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxybenzamide;3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N-(3,5-dimethoxyphenyl)-N-[(1-ethylimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol

3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxybenzamide;3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N-(3,5-dimethoxyphenyl)-N-[(1-ethylimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol (PubChem CID 165077303) has the molecular formula C102H107F3N24O8 and a molecular weight of 1854.13 g/mol. Its IUPAC name is 3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxybenzamide;3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N-(3,5-dimethoxyphenyl)-N-[(1-ethylimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol.

Molecular Properties

Compound Name3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxybenzamide;3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N-(3,5-dimethoxyphenyl)-N-[(1-ethylimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol
PubChem CID165077303
Molecular FormulaC102H107F3N24O8
Molecular Weight1854.13 g/mol
Exact Mass1852.87
IUPAC Name3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxybenzamide;3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N-(3,5-dimethoxyphenyl)-N-[(1-ethylimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol
SMILESCCn1ccnc1CN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1.CNC(=O)c1cc(F)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C(C)C)c4)nc3c2)c1.COc1cc(C(N)=O)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CC(O)C(C)(F)F)c2ccc3ncc(-c4cnn(C(C)C)c4)nc3c2)c1
InChIInChI=1S/C26H29F2N5O3.C26H27FN6O.C26H27N7O2.C24H24N6O2/c1-16(2)33-14-17(12-30-33)24-13-29-22-7-6-18(10-23(22)31-24)32(15-25(34)26(3,27)28)19-8-20(35-4)11-21(9-19)36-5;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;1-5-32-9-8-27-26(32)17-33(20-10-21(34-3)13-22(11-20)35-4)19-6-7-23-24(12-19)30-25(15-28-23)18-14-29-31(2)16-18;1-29-14-17(11-27-29)23-12-26-21-6-5-18(10-22(21)28-23)30(13-15-3-4-15)19-7-16(24(25)31)8-20(9-19)32-2/h6-14,16,25,34H,15H2,1-5H3;6-13,15-17H,4-5,14H2,1-3H3,(H,28,34);6-16H,5,17H2,1-4H3;5-12,14-15H,3-4,13H2,1-2H3,(H2,25,31)
InChIKeyUNFBIFNKZPCCOR-UHFFFAOYSA-N
XLogP18.65
TPSA343.75 Ų
H-Bond Donors3
H-Bond Acceptors30
Rotatable Bonds31
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001854.13
LogP ≤ 518.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1030

Analyze 3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxybenzamide;3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N-(3,5-dimethoxyphenyl)-N-[(1-ethylimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxybenzamide;3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N-(3,5-dimethoxyphenyl)-N-[(1-ethylimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol?
The IUPAC name of 3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxybenzamide;3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N-(3,5-dimethoxyphenyl)-N-[(1-ethylimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol (CID 165077303) is 3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxybenzamide;3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N-(3,5-dimethoxyphenyl)-N-[(1-ethylimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol.
What is the SMILES notation for 3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxybenzamide;3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N-(3,5-dimethoxyphenyl)-N-[(1-ethylimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol?
The canonical SMILES for 3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxybenzamide;3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N-(3,5-dimethoxyphenyl)-N-[(1-ethylimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol is CCn1ccnc1CN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1.CNC(=O)c1cc(F)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C(C)C)c4)nc3c2)c1.COc1cc(C(N)=O)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CC(O)C(C)(F)F)c2ccc3ncc(-c4cnn(C(C)C)c4)nc3c2)c1.
What is the InChIKey of 3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxybenzamide;3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N-(3,5-dimethoxyphenyl)-N-[(1-ethylimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol?
The InChIKey is UNFBIFNKZPCCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N5O3.C26H27FN6O.C26H27N7O2.C24H24N6O2/c1-16(2)33-14-17(12-30-33)24-13-29-22-7-6-18(10-23(22)31-24)32(15-25(34)26(3,27)28)19-8-20(35-4)11-21(9-19)36-5;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;1-5-32-9-8-27-26(32)17-33(20-10-21(34-3)13-22(11-20)35-4)19-6-7-23-24(12-19)30-25(15-28-23)18-14-29-31(2)16-18;1-29-14-17(11-27-29)23-12-26-21-6-5-18(10-22(21)28-23)30(13-15-3-4-15)19-7-16(24(25)31)8-20(9-19)32-2/h6-14,16,25,34H,15H2,1-5H3;6-13,15-17H,4-5,14H2,1-3H3,(H,28,34);6-16H,5,17H2,1-4H3;5-12,14-15H,3-4,13H2,1-2H3,(H2,25,31).
What are the key properties of 3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxybenzamide;3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N-(3,5-dimethoxyphenyl)-N-[(1-ethylimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol?
3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxybenzamide;3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N-(3,5-dimethoxyphenyl)-N-[(1-ethylimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol has a molecular weight of 1854.13 g/mol, XLogP of 18.65, 31 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxybenzamide;3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N-(3,5-dimethoxyphenyl)-N-[(1-ethylimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol is sourced from PubChem (CID 165077303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).