6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2R)-1-(2-fluoroprop-2-enoyl)-2-methylpiperidin-4-yl]-N-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxamide

C34H34F3N5O4 — CID 167318210

About 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2R)-1-(2-fluoroprop-2-enoyl)-2-methylpiperidin-4-yl]-N-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxamide

6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2R)-1-(2-fluoroprop-2-enoyl)-2-methylpiperidin-4-yl]-N-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 167318210) has the molecular formula C34H34F3N5O4 and a molecular weight of 633.67 g/mol. Its IUPAC name is 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2R)-1-(2-fluoroprop-2-enoyl)-2-methylpiperidin-4-yl]-N-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2R)-1-(2-fluoroprop-2-enoyl)-2-methylpiperidin-4-yl]-N-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxamide
• PubChem CID: 167318210
• Molecular Formula: C34H34F3N5O4
• Molecular Weight: 633.67 g/mol
• Exact Mass: 633.26
• IUPAC Name: 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2R)-1-(2-fluoroprop-2-enoyl)-2-methylpiperidin-4-yl]-N-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxamide
• SMILES: C=C(F)C(=O)N1CCC(c2c(C(=O)NC)c(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)C[C@H]1C
• InChI: InChI=1S/C34H34F3N5O4/c1-16(2)28-30(17(3)10-12-39-28)42-31-21(15-23(37)29(40-31)26-22(36)8-7-9-24(26)43)25(27(34(42)46)32(44)38-6)20-11-13-41(18(4)14-20)33(45)19(5)35/h7-10,12,15-16,18,20,43H,5,11,13-14H2,1-4,6H3,(H,38,44)/t18-,20?/m1/s1
• InChIKey: ZBCUJGNHYQSPIO-QSVWIEALSA-N
• XLogP: 5.80
• TPSA: 117.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.67
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2R)-1-(2-fluoroprop-2-enoyl)-2-methylpiperidin-4-yl]-N-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxamide?

The IUPAC name of 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2R)-1-(2-fluoroprop-2-enoyl)-2-methylpiperidin-4-yl]-N-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 167318210) is 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2R)-1-(2-fluoroprop-2-enoyl)-2-methylpiperidin-4-yl]-N-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2R)-1-(2-fluoroprop-2-enoyl)-2-methylpiperidin-4-yl]-N-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2R)-1-(2-fluoroprop-2-enoyl)-2-methylpiperidin-4-yl]-N-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxamide is C=C(F)C(=O)N1CCC(c2c(C(=O)NC)c(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)C[C@H]1C.

What is the InChIKey of 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2R)-1-(2-fluoroprop-2-enoyl)-2-methylpiperidin-4-yl]-N-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxamide?

The InChIKey is ZBCUJGNHYQSPIO-QSVWIEALSA-N. The full InChI is InChI=1S/C34H34F3N5O4/c1-16(2)28-30(17(3)10-12-39-28)42-31-21(15-23(37)29(40-31)26-22(36)8-7-9-24(26)43)25(27(34(42)46)32(44)38-6)20-11-13-41(18(4)14-20)33(45)19(5)35/h7-10,12,15-16,18,20,43H,5,11,13-14H2,1-4,6H3,(H,38,44)/t18-,20?/m1/s1.

What are the key properties of 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2R)-1-(2-fluoroprop-2-enoyl)-2-methylpiperidin-4-yl]-N-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxamide?

6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2R)-1-(2-fluoroprop-2-enoyl)-2-methylpiperidin-4-yl]-N-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 633.67 g/mol, XLogP of 5.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2R)-1-(2-fluoroprop-2-enoyl)-2-methylpiperidin-4-yl]-N-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 167318210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).