6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-N-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carboxamide

C32H32F2N6O4 — CID 167318297

About 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-N-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carboxamide

6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-N-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carboxamide (PubChem CID 167318297) has the molecular formula C32H32F2N6O4 and a molecular weight of 602.64 g/mol. Its IUPAC name is 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-N-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-N-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carboxamide
• PubChem CID: 167318297
• Molecular Formula: C32H32F2N6O4
• Molecular Weight: 602.64 g/mol
• Exact Mass: 602.25
• IUPAC Name: 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-N-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carboxamide
• SMILES: C=CC(=O)N1CCN(c2c(C(=O)NC)c(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)CC1
• InChI: InChI=1S/C32H32F2N6O4/c1-6-23(42)38-12-14-39(15-13-38)29-19-16-21(34)27(24-20(33)8-7-9-22(24)41)37-30(19)40(32(44)25(29)31(43)35-5)28-18(4)10-11-36-26(28)17(2)3/h6-11,16-17,41H,1,12-15H2,2-5H3,(H,35,43)
• InChIKey: VBXOIHNAIFCQCC-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 120.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	602.64
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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)-N-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carboxamide?

The IUPAC name of 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-N-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carboxamide (CID 167318297) is 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-N-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-N-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-N-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carboxamide is C=CC(=O)N1CCN(c2c(C(=O)NC)c(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)CC1.

What is the InChIKey of 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-N-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carboxamide?

The InChIKey is VBXOIHNAIFCQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F2N6O4/c1-6-23(42)38-12-14-39(15-13-38)29-19-16-21(34)27(24-20(33)8-7-9-22(24)41)37-30(19)40(32(44)25(29)31(43)35-5)28-18(4)10-11-36-26(28)17(2)3/h6-11,16-17,41H,1,12-15H2,2-5H3,(H,35,43).

What are the key properties of 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-N-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carboxamide?

6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-N-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 602.64 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-N-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 167318297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).