2-chloro-7-[5-fluoro-4-(furan-2-yl)-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[5-fluoro-4-(furan-2-yl)-6-[[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[5-fluoro-4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-phenylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-6-phenylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]quinazoline

C124H121Cl5F3N25O2 — CID 158874167

About 2-chloro-7-[5-fluoro-4-(furan-2-yl)-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[5-fluoro-4-(furan-2-yl)-6-[[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[5-fluoro-4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-phenylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-6-phenylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]quinazoline

2-chloro-7-[5-fluoro-4-(furan-2-yl)-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[5-fluoro-4-(furan-2-yl)-6-[[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[5-fluoro-4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-phenylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-6-phenylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]quinazoline (PubChem CID 158874167) has the molecular formula C124H121Cl5F3N25O2 and a molecular weight of 2227.76 g/mol. Its IUPAC name is 2-chloro-7-[5-fluoro-4-(furan-2-yl)-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[5-fluoro-4-(furan-2-yl)-6-[[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[5-fluoro-4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-phenylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-6-phenylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]quinazoline.

Molecular Properties

• Compound Name: 2-chloro-7-[5-fluoro-4-(furan-2-yl)-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[5-fluoro-4-(furan-2-yl)-6-[[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[5-fluoro-4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-phenylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-6-phenylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]quinazoline
• PubChem CID: 158874167
• Molecular Formula: C124H121Cl5F3N25O2
• Molecular Weight: 2227.76 g/mol
• Exact Mass: 2223.85
• IUPAC Name: 2-chloro-7-[5-fluoro-4-(furan-2-yl)-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[5-fluoro-4-(furan-2-yl)-6-[[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[5-fluoro-4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-phenylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-6-phenylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]quinazoline
• SMILES: CC1C2CCC(CC2)C1Cc1cc(-c2ccccc2)nc(-c2c[nH]c3ncc(Cl)nc23)n1.CC1C2CCC(CC2)C1Cc1nc(-c2c[nH]c3ncc(Cl)nc23)nc2ccccc12.C[C@@H]1C2CCC(CC2)[C@H]1Cc1nc(-c2c[nH]c3ncc(Cl)nc23)nc(-c2ccco2)c1F.C[C@H]1C2CCC(CC2)[C@@H]1Cc1nc(-c2c[nH]c3ncc(Cl)nc23)nc(-c2ccccc2)c1F.C[C@H]1C2CCC(CC2)[C@@H]1Cc1nc(-c2c[nH]c3ncc(Cl)nc23)nc(-c2ccco2)c1F
• InChI: InChI=1S/C26H25ClFN5.C26H26ClN5.2C24H23ClFN5O.C24H24ClN5/c1-14-15-7-9-16(10-8-15)18(14)11-20-22(28)23(17-5-3-2-4-6-17)33-25(31-20)19-12-29-26-24(19)32-21(27)13-30-26;1-15-16-7-9-17(10-8-16)20(15)11-19-12-22(18-5-3-2-4-6-18)31-25(30-19)21-13-28-26-24(21)32-23(27)14-29-26;2*1-12-13-4-6-14(7-5-13)15(12)9-17-20(26)22(18-3-2-8-32-18)31-23(29-17)16-10-27-24-21(16)30-19(25)11-28-24;1-13-14-6-8-15(9-7-14)17(13)10-20-16-4-2-3-5-19(16)28-23(29-20)18-11-26-24-22(18)30-21(25)12-27-24/h2-6,12-16,18H,7-11H2,1H3,(H,29,30);2-6,12-17,20H,7-11H2,1H3,(H,28,29);2*2-3,8,10-15H,4-7,9H2,1H3,(H,27,28);2-5,11-15,17H,6-10H2,1H3,(H,26,27)/t14-,15?,16?,18+;;2*12-,13?,14?,15+;/m0.10./s1
• InChIKey: JCFMZPGLNQHZIQ-BVWIRKTNSA-N
• XLogP: 30.84
• TPSA: 363.03 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 19
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2227.76
LogP ≤ 5	30.84
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-[5-fluoro-4-(furan-2-yl)-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[5-fluoro-4-(furan-2-yl)-6-[[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[5-fluoro-4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-phenylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-6-phenylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]quinazoline?

The IUPAC name of 2-chloro-7-[5-fluoro-4-(furan-2-yl)-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[5-fluoro-4-(furan-2-yl)-6-[[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[5-fluoro-4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-phenylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-6-phenylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]quinazoline (CID 158874167) is 2-chloro-7-[5-fluoro-4-(furan-2-yl)-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[5-fluoro-4-(furan-2-yl)-6-[[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[5-fluoro-4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-phenylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-6-phenylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]quinazoline.

What is the SMILES notation for 2-chloro-7-[5-fluoro-4-(furan-2-yl)-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[5-fluoro-4-(furan-2-yl)-6-[[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[5-fluoro-4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-phenylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-6-phenylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]quinazoline?

The canonical SMILES for 2-chloro-7-[5-fluoro-4-(furan-2-yl)-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[5-fluoro-4-(furan-2-yl)-6-[[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[5-fluoro-4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-phenylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-6-phenylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]quinazoline is CC1C2CCC(CC2)C1Cc1cc(-c2ccccc2)nc(-c2c[nH]c3ncc(Cl)nc23)n1.CC1C2CCC(CC2)C1Cc1nc(-c2c[nH]c3ncc(Cl)nc23)nc2ccccc12.C[C@@H]1C2CCC(CC2)[C@H]1Cc1nc(-c2c[nH]c3ncc(Cl)nc23)nc(-c2ccco2)c1F.C[C@H]1C2CCC(CC2)[C@@H]1Cc1nc(-c2c[nH]c3ncc(Cl)nc23)nc(-c2ccccc2)c1F.C[C@H]1C2CCC(CC2)[C@@H]1Cc1nc(-c2c[nH]c3ncc(Cl)nc23)nc(-c2ccco2)c1F.

What is the InChIKey of 2-chloro-7-[5-fluoro-4-(furan-2-yl)-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[5-fluoro-4-(furan-2-yl)-6-[[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[5-fluoro-4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-phenylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-6-phenylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]quinazoline?

The InChIKey is JCFMZPGLNQHZIQ-BVWIRKTNSA-N. The full InChI is InChI=1S/C26H25ClFN5.C26H26ClN5.2C24H23ClFN5O.C24H24ClN5/c1-14-15-7-9-16(10-8-15)18(14)11-20-22(28)23(17-5-3-2-4-6-17)33-25(31-20)19-12-29-26-24(19)32-21(27)13-30-26;1-15-16-7-9-17(10-8-16)20(15)11-19-12-22(18-5-3-2-4-6-18)31-25(30-19)21-13-28-26-24(21)32-23(27)14-29-26;2*1-12-13-4-6-14(7-5-13)15(12)9-17-20(26)22(18-3-2-8-32-18)31-23(29-17)16-10-27-24-21(16)30-19(25)11-28-24;1-13-14-6-8-15(9-7-14)17(13)10-20-16-4-2-3-5-19(16)28-23(29-20)18-11-26-24-22(18)30-21(25)12-27-24/h2-6,12-16,18H,7-11H2,1H3,(H,29,30);2-6,12-17,20H,7-11H2,1H3,(H,28,29);2*2-3,8,10-15H,4-7,9H2,1H3,(H,27,28);2-5,11-15,17H,6-10H2,1H3,(H,26,27)/t14-,15?,16?,18+;;2*12-,13?,14?,15+;/m0.10./s1.

What are the key properties of 2-chloro-7-[5-fluoro-4-(furan-2-yl)-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[5-fluoro-4-(furan-2-yl)-6-[[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[5-fluoro-4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-phenylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-6-phenylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]quinazoline?

2-chloro-7-[5-fluoro-4-(furan-2-yl)-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[5-fluoro-4-(furan-2-yl)-6-[[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[5-fluoro-4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-phenylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-6-phenylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]quinazoline has a molecular weight of 2227.76 g/mol, XLogP of 30.84, 19 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-7-[5-fluoro-4-(furan-2-yl)-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[5-fluoro-4-(furan-2-yl)-6-[[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[5-fluoro-4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-phenylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-6-phenylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]quinazoline is sourced from PubChem (CID 158874167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).