2-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone;N-(3,5-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(3-fluoro-5-methoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;[3-[3-hydroxypropyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenyl]-pyrrolidin-1-ylmethanone;methane

C118H151FN24O11 — CID 159162926

IUPAC2-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone;N-(3,5-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(3-fluoro-5-methoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;[3-[3-hydroxypropyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenyl]-pyrrolidin-1-ylmethanone;methane
SMILESC.C.C.C.C.C.COc1cc(C(=O)N2CCCC2)cc(N(CCCO)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(F)cc(N(CCCN2CCCC2)c2ccc3ncc(-c4cnn(C5CCCCO5)c4)nc3c2)c1.COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(CC(=O)N5CCC(O)C5)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN2CCCC2)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1
InChIInChI=1S/C30H35FN6O2.C29H32N6O4.C27H30N6O3.C26H30N6O2.6CH4/c1-38-26-16-23(31)15-25(17-26)36(13-6-12-35-10-3-4-11-35)24-8-9-27-28(18-24)34-29(20-32-27)22-19-33-37(21-22)30-7-2-5-14-39-30;1-38-24-9-22(10-25(12-24)39-2)35(15-19-3-4-19)21-5-6-26-27(11-21)32-28(14-30-26)20-13-31-34(16-20)18-29(37)33-8-7-23(36)17-33;1-31-18-20(16-29-31)26-17-28-24-7-6-21(15-25(24)30-26)33(10-5-11-34)22-12-19(13-23(14-22)36-2)27(35)32-8-3-4-9-32;1-33-22-12-21(13-23(15-22)34-2)32(11-5-10-31-8-3-4-9-31)20-6-7-24-25(14-20)30-26(18-27-24)19-16-28-29-17-19;;;;;;/h8-9,15-21,30H,2-7,10-14H2,1H3;5-6,9-14,16,19,23,36H,3-4,7-8,15,17-18H2,1-2H3;6-7,12-18,34H,3-5,8-11H2,1-2H3;6-7,12-18H,3-5,8-11H2,1-2H3,(H,28,29);6*1H4
InChIKeyKKSKXHCCYMVTFN-UHFFFAOYSA-N
MW2100.66 g/mol
LogP21.89
Rot. Bonds35

About 2-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone;N-(3,5-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(3-fluoro-5-methoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;[3-[3-hydroxypropyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenyl]-pyrrolidin-1-ylmethanone;methane

2-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone;N-(3,5-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(3-fluoro-5-methoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;[3-[3-hydroxypropyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenyl]-pyrrolidin-1-ylmethanone;methane (PubChem CID 159162926) has the molecular formula C118H151FN24O11 and a molecular weight of 2100.66 g/mol. Its IUPAC name is 2-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone;N-(3,5-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(3-fluoro-5-methoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;[3-[3-hydroxypropyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenyl]-pyrrolidin-1-ylmethanone;methane.

Molecular Properties

Compound Name2-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone;N-(3,5-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(3-fluoro-5-methoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;[3-[3-hydroxypropyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenyl]-pyrrolidin-1-ylmethanone;methane
PubChem CID159162926
Molecular FormulaC118H151FN24O11
Molecular Weight2100.66 g/mol
Exact Mass2099.20
IUPAC Name2-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone;N-(3,5-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(3-fluoro-5-methoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;[3-[3-hydroxypropyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenyl]-pyrrolidin-1-ylmethanone;methane
SMILESC.C.C.C.C.C.COc1cc(C(=O)N2CCCC2)cc(N(CCCO)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(F)cc(N(CCCN2CCCC2)c2ccc3ncc(-c4cnn(C5CCCCO5)c4)nc3c2)c1.COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(CC(=O)N5CCC(O)C5)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN2CCCC2)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1
InChIInChI=1S/C30H35FN6O2.C29H32N6O4.C27H30N6O3.C26H30N6O2.6CH4/c1-38-26-16-23(31)15-25(17-26)36(13-6-12-35-10-3-4-11-35)24-8-9-27-28(18-24)34-29(20-32-27)22-19-33-37(21-22)30-7-2-5-14-39-30;1-38-24-9-22(10-25(12-24)39-2)35(15-19-3-4-19)21-5-6-26-27(11-21)32-28(14-30-26)20-13-31-34(16-20)18-29(37)33-8-7-23(36)17-33;1-31-18-20(16-29-31)26-17-28-24-7-6-21(15-25(24)30-26)33(10-5-11-34)22-12-19(13-23(14-22)36-2)27(35)32-8-3-4-9-32;1-33-22-12-21(13-23(15-22)34-2)32(11-5-10-31-8-3-4-9-31)20-6-7-24-25(14-20)30-26(18-27-24)19-16-28-29-17-19;;;;;;/h8-9,15-21,30H,2-7,10-14H2,1H3;5-6,9-14,16,19,23,36H,3-4,7-8,15,17-18H2,1-2H3;6-7,12-18,34H,3-5,8-11H2,1-2H3;6-7,12-18H,3-5,8-11H2,1-2H3,(H,28,29);6*1H4
InChIKeyKKSKXHCCYMVTFN-UHFFFAOYSA-N
XLogP21.89
TPSA350.39 Ų
H-Bond Donors3
H-Bond Acceptors32
Rotatable Bonds35
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002100.66
LogP ≤ 521.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1032

Analyze 2-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone;N-(3,5-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(3-fluoro-5-methoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;[3-[3-hydroxypropyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenyl]-pyrrolidin-1-ylmethanone;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone;N-(3,5-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(3-fluoro-5-methoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;[3-[3-hydroxypropyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenyl]-pyrrolidin-1-ylmethanone;methane?
The IUPAC name of 2-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone;N-(3,5-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(3-fluoro-5-methoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;[3-[3-hydroxypropyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenyl]-pyrrolidin-1-ylmethanone;methane (CID 159162926) is 2-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone;N-(3,5-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(3-fluoro-5-methoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;[3-[3-hydroxypropyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenyl]-pyrrolidin-1-ylmethanone;methane.
What is the SMILES notation for 2-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone;N-(3,5-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(3-fluoro-5-methoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;[3-[3-hydroxypropyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenyl]-pyrrolidin-1-ylmethanone;methane?
The canonical SMILES for 2-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone;N-(3,5-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(3-fluoro-5-methoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;[3-[3-hydroxypropyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenyl]-pyrrolidin-1-ylmethanone;methane is C.C.C.C.C.C.COc1cc(C(=O)N2CCCC2)cc(N(CCCO)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(F)cc(N(CCCN2CCCC2)c2ccc3ncc(-c4cnn(C5CCCCO5)c4)nc3c2)c1.COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(CC(=O)N5CCC(O)C5)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN2CCCC2)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.
What is the InChIKey of 2-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone;N-(3,5-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(3-fluoro-5-methoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;[3-[3-hydroxypropyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenyl]-pyrrolidin-1-ylmethanone;methane?
The InChIKey is KKSKXHCCYMVTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN6O2.C29H32N6O4.C27H30N6O3.C26H30N6O2.6CH4/c1-38-26-16-23(31)15-25(17-26)36(13-6-12-35-10-3-4-11-35)24-8-9-27-28(18-24)34-29(20-32-27)22-19-33-37(21-22)30-7-2-5-14-39-30;1-38-24-9-22(10-25(12-24)39-2)35(15-19-3-4-19)21-5-6-26-27(11-21)32-28(14-30-26)20-13-31-34(16-20)18-29(37)33-8-7-23(36)17-33;1-31-18-20(16-29-31)26-17-28-24-7-6-21(15-25(24)30-26)33(10-5-11-34)22-12-19(13-23(14-22)36-2)27(35)32-8-3-4-9-32;1-33-22-12-21(13-23(15-22)34-2)32(11-5-10-31-8-3-4-9-31)20-6-7-24-25(14-20)30-26(18-27-24)19-16-28-29-17-19;;;;;;/h8-9,15-21,30H,2-7,10-14H2,1H3;5-6,9-14,16,19,23,36H,3-4,7-8,15,17-18H2,1-2H3;6-7,12-18,34H,3-5,8-11H2,1-2H3;6-7,12-18H,3-5,8-11H2,1-2H3,(H,28,29);6*1H4.
What are the key properties of 2-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone;N-(3,5-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(3-fluoro-5-methoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;[3-[3-hydroxypropyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenyl]-pyrrolidin-1-ylmethanone;methane?
2-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone;N-(3,5-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(3-fluoro-5-methoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;[3-[3-hydroxypropyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenyl]-pyrrolidin-1-ylmethanone;methane has a molecular weight of 2100.66 g/mol, XLogP of 21.89, 35 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone;N-(3,5-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(3-fluoro-5-methoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;[3-[3-hydroxypropyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenyl]-pyrrolidin-1-ylmethanone;methane is sourced from PubChem (CID 159162926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).