[5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]-3-pyridinyl]methanol

C23H18F4N6O — CID 146597504

About [5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]-3-pyridinyl]methanol

[5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]-3-pyridinyl]methanol (PubChem CID 146597504) has the molecular formula C23H18F4N6O and a molecular weight of 470.43 g/mol. Its IUPAC name is [5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]-3-pyridinyl]methanol.

Molecular Properties

• Compound Name: [5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]-3-pyridinyl]methanol
• PubChem CID: 146597504
• Molecular Formula: C23H18F4N6O
• Molecular Weight: 470.43 g/mol
• Exact Mass: 470.15
• IUPAC Name: [5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]-3-pyridinyl]methanol
• SMILES: CCNc1cc(F)cc2c1[nH]c1ncc(-c3cncc(CO)c3)c(-n3ccc(C(F)(F)F)n3)c12
• InChI: InChI=1S/C23H18F4N6O/c1-2-29-17-7-14(24)6-15-19-21(33-4-3-18(32-33)23(25,26)27)16(10-30-22(19)31-20(15)17)13-5-12(11-34)8-28-9-13/h3-10,29,34H,2,11H2,1H3,(H,30,31)
• InChIKey: CPMHNCNWJRCWJG-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 91.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.43
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]-3-pyridinyl]methanol?

The IUPAC name of [5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]-3-pyridinyl]methanol (CID 146597504) is [5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]-3-pyridinyl]methanol.

What is the SMILES notation for [5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]-3-pyridinyl]methanol?

The canonical SMILES for [5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]-3-pyridinyl]methanol is CCNc1cc(F)cc2c1[nH]c1ncc(-c3cncc(CO)c3)c(-n3ccc(C(F)(F)F)n3)c12.

What is the InChIKey of [5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]-3-pyridinyl]methanol?

The InChIKey is CPMHNCNWJRCWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N6O/c1-2-29-17-7-14(24)6-15-19-21(33-4-3-18(32-33)23(25,26)27)16(10-30-22(19)31-20(15)17)13-5-12(11-34)8-28-9-13/h3-10,29,34H,2,11H2,1H3,(H,30,31).

What are the key properties of [5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]-3-pyridinyl]methanol?

[5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]-3-pyridinyl]methanol has a molecular weight of 470.43 g/mol, XLogP of 5.05, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]-3-pyridinyl]methanol is sourced from PubChem (CID 146597504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).