N-[[1-(2,2-difluoropropyl)piperidin-4-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-pyrrol-1-ylethyl)quinolin-6-amine

C114H117F2N23O8 — CID 165061999

IUPACN-[[1-(2,2-difluoropropyl)piperidin-4-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-pyrrol-1-ylethyl)quinolin-6-amine
SMILESCOc1cc(OC)cc(N(CC2CCN(CC(C)(F)F)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCn2cccc2)c2ccc3ncc(-c4cnn(C)c4)cc3c2)c1.COc1cc(OC)cc(N(C[C@@H]2C[C@H]2c2ccccn2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(C[C@H]2C[C@@H]2c2ccccn2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
InChIInChI=1S/C29H34F2N6O2.2C29H28N6O2.C27H27N5O2/c1-29(30,31)19-36-9-7-20(8-10-36)17-37(23-11-24(38-3)14-25(12-23)39-4)22-5-6-26-27(13-22)34-28(16-32-26)21-15-33-35(2)18-21;2*1-34-17-20(15-32-34)29-16-31-27-8-7-21(13-28(27)33-29)35(22-11-23(36-2)14-24(12-22)37-3)18-19-10-25(19)26-6-4-5-9-30-26;1-30-19-22(18-29-30)21-12-20-13-23(6-7-27(20)28-17-21)32(11-10-31-8-4-5-9-31)24-14-25(33-2)16-26(15-24)34-3/h5-6,11-16,18,20H,7-10,17,19H2,1-4H3;2*4-9,11-17,19,25H,10,18H2,1-3H3;4-9,12-19H,10-11H2,1-3H3/t;2*19-,25+;/m.10./s1
InChIKeyRIYKKBNOBZESBZ-XPVHHPGFSA-N
MW1975.34 g/mol
LogP21.61
Rot. Bonds33

About N-[[1-(2,2-difluoropropyl)piperidin-4-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-pyrrol-1-ylethyl)quinolin-6-amine

N-[[1-(2,2-difluoropropyl)piperidin-4-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-pyrrol-1-ylethyl)quinolin-6-amine (PubChem CID 165061999) has the molecular formula C114H117F2N23O8 and a molecular weight of 1975.34 g/mol. Its IUPAC name is N-[[1-(2,2-difluoropropyl)piperidin-4-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-pyrrol-1-ylethyl)quinolin-6-amine.

Molecular Properties

Compound NameN-[[1-(2,2-difluoropropyl)piperidin-4-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-pyrrol-1-ylethyl)quinolin-6-amine
PubChem CID165061999
Molecular FormulaC114H117F2N23O8
Molecular Weight1975.34 g/mol
Exact Mass1973.94
IUPAC NameN-[[1-(2,2-difluoropropyl)piperidin-4-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-pyrrol-1-ylethyl)quinolin-6-amine
SMILESCOc1cc(OC)cc(N(CC2CCN(CC(C)(F)F)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCn2cccc2)c2ccc3ncc(-c4cnn(C)c4)cc3c2)c1.COc1cc(OC)cc(N(C[C@@H]2C[C@H]2c2ccccn2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(C[C@H]2C[C@@H]2c2ccccn2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
InChIInChI=1S/C29H34F2N6O2.2C29H28N6O2.C27H27N5O2/c1-29(30,31)19-36-9-7-20(8-10-36)17-37(23-11-24(38-3)14-25(12-23)39-4)22-5-6-26-27(13-22)34-28(16-32-26)21-15-33-35(2)18-21;2*1-34-17-20(15-32-34)29-16-31-27-8-7-21(13-28(27)33-29)35(22-11-23(36-2)14-24(12-22)37-3)18-19-10-25(19)26-6-4-5-9-30-26;1-30-19-22(18-29-30)21-12-20-13-23(6-7-27(20)28-17-21)32(11-10-31-8-4-5-9-31)24-14-25(33-2)16-26(15-24)34-3/h5-6,11-16,18,20H,7-10,17,19H2,1-4H3;2*4-9,11-17,19,25H,10,18H2,1-3H3;4-9,12-19H,10-11H2,1-3H3/t;2*19-,25+;/m.10./s1
InChIKeyRIYKKBNOBZESBZ-XPVHHPGFSA-N
XLogP21.61
TPSA282.26 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds33
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001975.34
LogP ≤ 521.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze N-[[1-(2,2-difluoropropyl)piperidin-4-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-pyrrol-1-ylethyl)quinolin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2-difluoropropyl)piperidin-4-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-pyrrol-1-ylethyl)quinolin-6-amine?
The IUPAC name of N-[[1-(2,2-difluoropropyl)piperidin-4-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-pyrrol-1-ylethyl)quinolin-6-amine (CID 165061999) is N-[[1-(2,2-difluoropropyl)piperidin-4-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-pyrrol-1-ylethyl)quinolin-6-amine.
What is the SMILES notation for N-[[1-(2,2-difluoropropyl)piperidin-4-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-pyrrol-1-ylethyl)quinolin-6-amine?
The canonical SMILES for N-[[1-(2,2-difluoropropyl)piperidin-4-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-pyrrol-1-ylethyl)quinolin-6-amine is COc1cc(OC)cc(N(CC2CCN(CC(C)(F)F)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCn2cccc2)c2ccc3ncc(-c4cnn(C)c4)cc3c2)c1.COc1cc(OC)cc(N(C[C@@H]2C[C@H]2c2ccccn2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(C[C@H]2C[C@@H]2c2ccccn2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.
What is the InChIKey of N-[[1-(2,2-difluoropropyl)piperidin-4-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-pyrrol-1-ylethyl)quinolin-6-amine?
The InChIKey is RIYKKBNOBZESBZ-XPVHHPGFSA-N. The full InChI is InChI=1S/C29H34F2N6O2.2C29H28N6O2.C27H27N5O2/c1-29(30,31)19-36-9-7-20(8-10-36)17-37(23-11-24(38-3)14-25(12-23)39-4)22-5-6-26-27(13-22)34-28(16-32-26)21-15-33-35(2)18-21;2*1-34-17-20(15-32-34)29-16-31-27-8-7-21(13-28(27)33-29)35(22-11-23(36-2)14-24(12-22)37-3)18-19-10-25(19)26-6-4-5-9-30-26;1-30-19-22(18-29-30)21-12-20-13-23(6-7-27(20)28-17-21)32(11-10-31-8-4-5-9-31)24-14-25(33-2)16-26(15-24)34-3/h5-6,11-16,18,20H,7-10,17,19H2,1-4H3;2*4-9,11-17,19,25H,10,18H2,1-3H3;4-9,12-19H,10-11H2,1-3H3/t;2*19-,25+;/m.10./s1.
What are the key properties of N-[[1-(2,2-difluoropropyl)piperidin-4-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-pyrrol-1-ylethyl)quinolin-6-amine?
N-[[1-(2,2-difluoropropyl)piperidin-4-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-pyrrol-1-ylethyl)quinolin-6-amine has a molecular weight of 1975.34 g/mol, XLogP of 21.61, 33 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2-difluoropropyl)piperidin-4-yl]methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-pyrrol-1-ylethyl)quinolin-6-amine is sourced from PubChem (CID 165061999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).