4-chloro-6-fluoro-7-(5-methyl-1H-indazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonyl-1,8-naphthyridin-2-one

C26H23ClFN5O3S — CID 167318289

About 4-chloro-6-fluoro-7-(5-methyl-1H-indazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonyl-1,8-naphthyridin-2-one

4-chloro-6-fluoro-7-(5-methyl-1H-indazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonyl-1,8-naphthyridin-2-one (PubChem CID 167318289) has the molecular formula C26H23ClFN5O3S and a molecular weight of 540.02 g/mol. Its IUPAC name is 4-chloro-6-fluoro-7-(5-methyl-1H-indazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonyl-1,8-naphthyridin-2-one.

Molecular Properties

• Compound Name: 4-chloro-6-fluoro-7-(5-methyl-1H-indazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonyl-1,8-naphthyridin-2-one
• PubChem CID: 167318289
• Molecular Formula: C26H23ClFN5O3S
• Molecular Weight: 540.02 g/mol
• Exact Mass: 539.12
• IUPAC Name: 4-chloro-6-fluoro-7-(5-methyl-1H-indazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonyl-1,8-naphthyridin-2-one
• SMILES: Cc1ccnc(C(C)C)c1-n1c(=O)c(S(C)(=O)=O)c(Cl)c2cc(F)c(-c3c(C)ccc4[nH]ncc34)nc21
• InChI: InChI=1S/C26H23ClFN5O3S/c1-12(2)21-23(14(4)8-9-29-21)33-25-15(20(27)24(26(33)34)37(5,35)36)10-17(28)22(31-25)19-13(3)6-7-18-16(19)11-30-32-18/h6-12H,1-5H3,(H,30,32)
• InChIKey: XRDOCUSPGLDICR-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 110.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.02
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-fluoro-7-(5-methyl-1H-indazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonyl-1,8-naphthyridin-2-one?

The IUPAC name of 4-chloro-6-fluoro-7-(5-methyl-1H-indazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonyl-1,8-naphthyridin-2-one (CID 167318289) is 4-chloro-6-fluoro-7-(5-methyl-1H-indazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonyl-1,8-naphthyridin-2-one.

What is the SMILES notation for 4-chloro-6-fluoro-7-(5-methyl-1H-indazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonyl-1,8-naphthyridin-2-one?

The canonical SMILES for 4-chloro-6-fluoro-7-(5-methyl-1H-indazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonyl-1,8-naphthyridin-2-one is Cc1ccnc(C(C)C)c1-n1c(=O)c(S(C)(=O)=O)c(Cl)c2cc(F)c(-c3c(C)ccc4[nH]ncc34)nc21.

What is the InChIKey of 4-chloro-6-fluoro-7-(5-methyl-1H-indazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonyl-1,8-naphthyridin-2-one?

The InChIKey is XRDOCUSPGLDICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN5O3S/c1-12(2)21-23(14(4)8-9-29-21)33-25-15(20(27)24(26(33)34)37(5,35)36)10-17(28)22(31-25)19-13(3)6-7-18-16(19)11-30-32-18/h6-12H,1-5H3,(H,30,32).

What are the key properties of 4-chloro-6-fluoro-7-(5-methyl-1H-indazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonyl-1,8-naphthyridin-2-one?

4-chloro-6-fluoro-7-(5-methyl-1H-indazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonyl-1,8-naphthyridin-2-one has a molecular weight of 540.02 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-6-fluoro-7-(5-methyl-1H-indazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 167318289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).