5-(2-chloro-4-methoxyphenyl)-N-[(3R,4S)-4-ethoxy-1-(4-methoxy-2-pyridinyl)pyrrolidin-3-yl]-3,6-diethylpyrazin-2-amine;5-(2-chloro-4-methoxyphenyl)-N-[(3R,4S)-4-ethoxy-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-3,6-diethylpyrazin-2-amine;hydrochloride

C53H68Cl3N11O6 — CID 87884928

About 5-(2-chloro-4-methoxyphenyl)-N-[(3R,4S)-4-ethoxy-1-(4-methoxy-2-pyridinyl)pyrrolidin-3-yl]-3,6-diethylpyrazin-2-amine;5-(2-chloro-4-methoxyphenyl)-N-[(3R,4S)-4-ethoxy-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-3,6-diethylpyrazin-2-amine;hydrochloride

5-(2-chloro-4-methoxyphenyl)-N-[(3R,4S)-4-ethoxy-1-(4-methoxy-2-pyridinyl)pyrrolidin-3-yl]-3,6-diethylpyrazin-2-amine;5-(2-chloro-4-methoxyphenyl)-N-[(3R,4S)-4-ethoxy-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-3,6-diethylpyrazin-2-amine;hydrochloride (PubChem CID 87884928) has the molecular formula C53H68Cl3N11O6 and a molecular weight of 1061.56 g/mol. Its IUPAC name is 5-(2-chloro-4-methoxyphenyl)-N-[(3R,4S)-4-ethoxy-1-(4-methoxy-2-pyridinyl)pyrrolidin-3-yl]-3,6-diethylpyrazin-2-amine;5-(2-chloro-4-methoxyphenyl)-N-[(3R,4S)-4-ethoxy-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-3,6-diethylpyrazin-2-amine;hydrochloride.

Molecular Properties

• Compound Name: 5-(2-chloro-4-methoxyphenyl)-N-[(3R,4S)-4-ethoxy-1-(4-methoxy-2-pyridinyl)pyrrolidin-3-yl]-3,6-diethylpyrazin-2-amine;5-(2-chloro-4-methoxyphenyl)-N-[(3R,4S)-4-ethoxy-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-3,6-diethylpyrazin-2-amine;hydrochloride
• PubChem CID: 87884928
• Molecular Formula: C53H68Cl3N11O6
• Molecular Weight: 1061.56 g/mol
• Exact Mass: 1059.44
• IUPAC Name: 5-(2-chloro-4-methoxyphenyl)-N-[(3R,4S)-4-ethoxy-1-(4-methoxy-2-pyridinyl)pyrrolidin-3-yl]-3,6-diethylpyrazin-2-amine;5-(2-chloro-4-methoxyphenyl)-N-[(3R,4S)-4-ethoxy-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-3,6-diethylpyrazin-2-amine;hydrochloride
• SMILES: CCO[C@H]1CN(c2cc(OC)ccn2)C[C@H]1Nc1nc(CC)c(-c2ccc(OC)cc2Cl)nc1CC.CCO[C@H]1CN(c2nccc(OC)n2)C[C@H]1Nc1nc(CC)c(-c2ccc(OC)cc2Cl)nc1CC.Cl
• InChI: InChI=1S/C27H34ClN5O3.C26H33ClN6O3.ClH/c1-6-21-26(19-10-9-17(34-4)13-20(19)28)30-22(7-2)27(31-21)32-23-15-33(16-24(23)36-8-3)25-14-18(35-5)11-12-29-25;1-6-19-24(17-10-9-16(34-4)13-18(17)27)29-20(7-2)25(30-19)31-21-14-33(15-22(21)36-8-3)26-28-12-11-23(32-26)35-5;/h9-14,23-24H,6-8,15-16H2,1-5H3,(H,31,32);9-13,21-22H,6-8,14-15H2,1-5H3,(H,30,31);1H/t23-,24+;21-,22+;/m11./s1
• InChIKey: FZZYAMPEKKTNKP-WVHNFRSTSA-N
• XLogP: 9.90
• TPSA: 176.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 20
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1061.56
LogP ≤ 5	9.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-methoxyphenyl)-N-[(3R,4S)-4-ethoxy-1-(4-methoxy-2-pyridinyl)pyrrolidin-3-yl]-3,6-diethylpyrazin-2-amine;5-(2-chloro-4-methoxyphenyl)-N-[(3R,4S)-4-ethoxy-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-3,6-diethylpyrazin-2-amine;hydrochloride?

The IUPAC name of 5-(2-chloro-4-methoxyphenyl)-N-[(3R,4S)-4-ethoxy-1-(4-methoxy-2-pyridinyl)pyrrolidin-3-yl]-3,6-diethylpyrazin-2-amine;5-(2-chloro-4-methoxyphenyl)-N-[(3R,4S)-4-ethoxy-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-3,6-diethylpyrazin-2-amine;hydrochloride (CID 87884928) is 5-(2-chloro-4-methoxyphenyl)-N-[(3R,4S)-4-ethoxy-1-(4-methoxy-2-pyridinyl)pyrrolidin-3-yl]-3,6-diethylpyrazin-2-amine;5-(2-chloro-4-methoxyphenyl)-N-[(3R,4S)-4-ethoxy-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-3,6-diethylpyrazin-2-amine;hydrochloride.

What is the SMILES notation for 5-(2-chloro-4-methoxyphenyl)-N-[(3R,4S)-4-ethoxy-1-(4-methoxy-2-pyridinyl)pyrrolidin-3-yl]-3,6-diethylpyrazin-2-amine;5-(2-chloro-4-methoxyphenyl)-N-[(3R,4S)-4-ethoxy-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-3,6-diethylpyrazin-2-amine;hydrochloride?

The canonical SMILES for 5-(2-chloro-4-methoxyphenyl)-N-[(3R,4S)-4-ethoxy-1-(4-methoxy-2-pyridinyl)pyrrolidin-3-yl]-3,6-diethylpyrazin-2-amine;5-(2-chloro-4-methoxyphenyl)-N-[(3R,4S)-4-ethoxy-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-3,6-diethylpyrazin-2-amine;hydrochloride is CCO[C@H]1CN(c2cc(OC)ccn2)C[C@H]1Nc1nc(CC)c(-c2ccc(OC)cc2Cl)nc1CC.CCO[C@H]1CN(c2nccc(OC)n2)C[C@H]1Nc1nc(CC)c(-c2ccc(OC)cc2Cl)nc1CC.Cl.

What is the InChIKey of 5-(2-chloro-4-methoxyphenyl)-N-[(3R,4S)-4-ethoxy-1-(4-methoxy-2-pyridinyl)pyrrolidin-3-yl]-3,6-diethylpyrazin-2-amine;5-(2-chloro-4-methoxyphenyl)-N-[(3R,4S)-4-ethoxy-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-3,6-diethylpyrazin-2-amine;hydrochloride?

The InChIKey is FZZYAMPEKKTNKP-WVHNFRSTSA-N. The full InChI is InChI=1S/C27H34ClN5O3.C26H33ClN6O3.ClH/c1-6-21-26(19-10-9-17(34-4)13-20(19)28)30-22(7-2)27(31-21)32-23-15-33(16-24(23)36-8-3)25-14-18(35-5)11-12-29-25;1-6-19-24(17-10-9-16(34-4)13-18(17)27)29-20(7-2)25(30-19)31-21-14-33(15-22(21)36-8-3)26-28-12-11-23(32-26)35-5;/h9-14,23-24H,6-8,15-16H2,1-5H3,(H,31,32);9-13,21-22H,6-8,14-15H2,1-5H3,(H,30,31);1H/t23-,24+;21-,22+;/m11./s1.

What are the key properties of 5-(2-chloro-4-methoxyphenyl)-N-[(3R,4S)-4-ethoxy-1-(4-methoxy-2-pyridinyl)pyrrolidin-3-yl]-3,6-diethylpyrazin-2-amine;5-(2-chloro-4-methoxyphenyl)-N-[(3R,4S)-4-ethoxy-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-3,6-diethylpyrazin-2-amine;hydrochloride?

5-(2-chloro-4-methoxyphenyl)-N-[(3R,4S)-4-ethoxy-1-(4-methoxy-2-pyridinyl)pyrrolidin-3-yl]-3,6-diethylpyrazin-2-amine;5-(2-chloro-4-methoxyphenyl)-N-[(3R,4S)-4-ethoxy-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-3,6-diethylpyrazin-2-amine;hydrochloride has a molecular weight of 1061.56 g/mol, XLogP of 9.90, 20 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-chloro-4-methoxyphenyl)-N-[(3R,4S)-4-ethoxy-1-(4-methoxy-2-pyridinyl)pyrrolidin-3-yl]-3,6-diethylpyrazin-2-amine;5-(2-chloro-4-methoxyphenyl)-N-[(3R,4S)-4-ethoxy-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-3,6-diethylpyrazin-2-amine;hydrochloride is sourced from PubChem (CID 87884928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).