7-fluoro-6-(2-fluoro-6-hydroxyphenyl)-1-[(2R)-2-methylpiperidin-4-yl]-4-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-b]pyrazine-2,3-dione

C28H29F2N5O3 — CID 167318340

About 7-fluoro-6-(2-fluoro-6-hydroxyphenyl)-1-[(2R)-2-methylpiperidin-4-yl]-4-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-b]pyrazine-2,3-dione

7-fluoro-6-(2-fluoro-6-hydroxyphenyl)-1-[(2R)-2-methylpiperidin-4-yl]-4-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-b]pyrazine-2,3-dione (PubChem CID 167318340) has the molecular formula C28H29F2N5O3 and a molecular weight of 521.57 g/mol. Its IUPAC name is 7-fluoro-6-(2-fluoro-6-hydroxyphenyl)-1-[(2R)-2-methylpiperidin-4-yl]-4-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-b]pyrazine-2,3-dione.

Molecular Properties

• Compound Name: 7-fluoro-6-(2-fluoro-6-hydroxyphenyl)-1-[(2R)-2-methylpiperidin-4-yl]-4-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-b]pyrazine-2,3-dione
• PubChem CID: 167318340
• Molecular Formula: C28H29F2N5O3
• Molecular Weight: 521.57 g/mol
• Exact Mass: 521.22
• IUPAC Name: 7-fluoro-6-(2-fluoro-6-hydroxyphenyl)-1-[(2R)-2-methylpiperidin-4-yl]-4-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-b]pyrazine-2,3-dione
• SMILES: Cc1ccnc(C(C)C)c1-n1c(=O)c(=O)n(C2CCN[C@H](C)C2)c2cc(F)c(-c3c(O)cccc3F)nc21
• InChI: InChI=1S/C28H29F2N5O3/c1-14(2)23-25(15(3)8-10-32-23)35-26-20(34(27(37)28(35)38)17-9-11-31-16(4)12-17)13-19(30)24(33-26)22-18(29)6-5-7-21(22)36/h5-8,10,13-14,16-17,31,36H,9,11-12H2,1-4H3/t16-,17?/m1/s1
• InChIKey: NFHPBICPFPIBKY-TZHYSIJRSA-N
• XLogP: 4.34
• TPSA: 102.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.57
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-(2-fluoro-6-hydroxyphenyl)-1-[(2R)-2-methylpiperidin-4-yl]-4-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-b]pyrazine-2,3-dione?

The IUPAC name of 7-fluoro-6-(2-fluoro-6-hydroxyphenyl)-1-[(2R)-2-methylpiperidin-4-yl]-4-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-b]pyrazine-2,3-dione (CID 167318340) is 7-fluoro-6-(2-fluoro-6-hydroxyphenyl)-1-[(2R)-2-methylpiperidin-4-yl]-4-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-b]pyrazine-2,3-dione.

What is the SMILES notation for 7-fluoro-6-(2-fluoro-6-hydroxyphenyl)-1-[(2R)-2-methylpiperidin-4-yl]-4-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-b]pyrazine-2,3-dione?

The canonical SMILES for 7-fluoro-6-(2-fluoro-6-hydroxyphenyl)-1-[(2R)-2-methylpiperidin-4-yl]-4-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-b]pyrazine-2,3-dione is Cc1ccnc(C(C)C)c1-n1c(=O)c(=O)n(C2CCN[C@H](C)C2)c2cc(F)c(-c3c(O)cccc3F)nc21.

What is the InChIKey of 7-fluoro-6-(2-fluoro-6-hydroxyphenyl)-1-[(2R)-2-methylpiperidin-4-yl]-4-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-b]pyrazine-2,3-dione?

The InChIKey is NFHPBICPFPIBKY-TZHYSIJRSA-N. The full InChI is InChI=1S/C28H29F2N5O3/c1-14(2)23-25(15(3)8-10-32-23)35-26-20(34(27(37)28(35)38)17-9-11-31-16(4)12-17)13-19(30)24(33-26)22-18(29)6-5-7-21(22)36/h5-8,10,13-14,16-17,31,36H,9,11-12H2,1-4H3/t16-,17?/m1/s1.

What are the key properties of 7-fluoro-6-(2-fluoro-6-hydroxyphenyl)-1-[(2R)-2-methylpiperidin-4-yl]-4-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-b]pyrazine-2,3-dione?

7-fluoro-6-(2-fluoro-6-hydroxyphenyl)-1-[(2R)-2-methylpiperidin-4-yl]-4-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-b]pyrazine-2,3-dione has a molecular weight of 521.57 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-6-(2-fluoro-6-hydroxyphenyl)-1-[(2R)-2-methylpiperidin-4-yl]-4-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 167318340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).