5-[6-[(3S)-3-(azetidin-1-yl)pyrrolidin-1-yl]-4-chloro-1,8-naphthyridin-2-yl]-7-fluoro-2-methylindazol-6-ol

C23H22ClFN6O — CID 168978359

About 5-[6-[(3S)-3-(azetidin-1-yl)pyrrolidin-1-yl]-4-chloro-1,8-naphthyridin-2-yl]-7-fluoro-2-methylindazol-6-ol

5-[6-[(3S)-3-(azetidin-1-yl)pyrrolidin-1-yl]-4-chloro-1,8-naphthyridin-2-yl]-7-fluoro-2-methylindazol-6-ol (PubChem CID 168978359) has the molecular formula C23H22ClFN6O and a molecular weight of 452.92 g/mol. Its IUPAC name is 5-[6-[(3S)-3-(azetidin-1-yl)pyrrolidin-1-yl]-4-chloro-1,8-naphthyridin-2-yl]-7-fluoro-2-methylindazol-6-ol.

Molecular Properties

• Compound Name: 5-[6-[(3S)-3-(azetidin-1-yl)pyrrolidin-1-yl]-4-chloro-1,8-naphthyridin-2-yl]-7-fluoro-2-methylindazol-6-ol
• PubChem CID: 168978359
• Molecular Formula: C23H22ClFN6O
• Molecular Weight: 452.92 g/mol
• Exact Mass: 452.15
• IUPAC Name: 5-[6-[(3S)-3-(azetidin-1-yl)pyrrolidin-1-yl]-4-chloro-1,8-naphthyridin-2-yl]-7-fluoro-2-methylindazol-6-ol
• SMILES: Cn1cc2cc(-c3cc(Cl)c4cc(N5CC[C@H](N6CCC6)C5)cnc4n3)c(O)c(F)c2n1
• InChI: InChI=1S/C23H22ClFN6O/c1-29-11-13-7-17(22(32)20(25)21(13)28-29)19-9-18(24)16-8-15(10-26-23(16)27-19)31-6-3-14(12-31)30-4-2-5-30/h7-11,14,32H,2-6,12H2,1H3/t14-/m0/s1
• InChIKey: VWFMGASJLZSRIB-AWEZNQCLSA-N
• XLogP: 3.97
• TPSA: 70.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.92
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[6-[(3S)-3-(azetidin-1-yl)pyrrolidin-1-yl]-4-chloro-1,8-naphthyridin-2-yl]-7-fluoro-2-methylindazol-6-ol?

The IUPAC name of 5-[6-[(3S)-3-(azetidin-1-yl)pyrrolidin-1-yl]-4-chloro-1,8-naphthyridin-2-yl]-7-fluoro-2-methylindazol-6-ol (CID 168978359) is 5-[6-[(3S)-3-(azetidin-1-yl)pyrrolidin-1-yl]-4-chloro-1,8-naphthyridin-2-yl]-7-fluoro-2-methylindazol-6-ol.

What is the SMILES notation for 5-[6-[(3S)-3-(azetidin-1-yl)pyrrolidin-1-yl]-4-chloro-1,8-naphthyridin-2-yl]-7-fluoro-2-methylindazol-6-ol?

The canonical SMILES for 5-[6-[(3S)-3-(azetidin-1-yl)pyrrolidin-1-yl]-4-chloro-1,8-naphthyridin-2-yl]-7-fluoro-2-methylindazol-6-ol is Cn1cc2cc(-c3cc(Cl)c4cc(N5CC[C@H](N6CCC6)C5)cnc4n3)c(O)c(F)c2n1.

What is the InChIKey of 5-[6-[(3S)-3-(azetidin-1-yl)pyrrolidin-1-yl]-4-chloro-1,8-naphthyridin-2-yl]-7-fluoro-2-methylindazol-6-ol?

The InChIKey is VWFMGASJLZSRIB-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H22ClFN6O/c1-29-11-13-7-17(22(32)20(25)21(13)28-29)19-9-18(24)16-8-15(10-26-23(16)27-19)31-6-3-14(12-31)30-4-2-5-30/h7-11,14,32H,2-6,12H2,1H3/t14-/m0/s1.

What are the key properties of 5-[6-[(3S)-3-(azetidin-1-yl)pyrrolidin-1-yl]-4-chloro-1,8-naphthyridin-2-yl]-7-fluoro-2-methylindazol-6-ol?

5-[6-[(3S)-3-(azetidin-1-yl)pyrrolidin-1-yl]-4-chloro-1,8-naphthyridin-2-yl]-7-fluoro-2-methylindazol-6-ol has a molecular weight of 452.92 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-[(3S)-3-(azetidin-1-yl)pyrrolidin-1-yl]-4-chloro-1,8-naphthyridin-2-yl]-7-fluoro-2-methylindazol-6-ol is sourced from PubChem (CID 168978359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).