N-ethyl-6-fluoro-3-[5-(2H-tetrazol-5-ylmethyl)-3-pyridinyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-8-amine

C24H18F4N10 — CID 162667004

About N-ethyl-6-fluoro-3-[5-(2H-tetrazol-5-ylmethyl)-3-pyridinyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-8-amine

N-ethyl-6-fluoro-3-[5-(2H-tetrazol-5-ylmethyl)-3-pyridinyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-8-amine (PubChem CID 162667004) has the molecular formula C24H18F4N10 and a molecular weight of 522.47 g/mol. Its IUPAC name is N-ethyl-6-fluoro-3-[5-(2H-tetrazol-5-ylmethyl)-3-pyridinyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-8-amine.

Molecular Properties

• Compound Name: N-ethyl-6-fluoro-3-[5-(2H-tetrazol-5-ylmethyl)-3-pyridinyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-8-amine
• PubChem CID: 162667004
• Molecular Formula: C24H18F4N10
• Molecular Weight: 522.47 g/mol
• Exact Mass: 522.17
• IUPAC Name: N-ethyl-6-fluoro-3-[5-(2H-tetrazol-5-ylmethyl)-3-pyridinyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-8-amine
• SMILES: CCNc1cc(F)cc2c1[nH]c1ncc(-c3cncc(Cc4nn[nH]n4)c3)c(-n3ccc(C(F)(F)F)n3)c12
• InChI: InChI=1S/C24H18F4N10/c1-2-30-17-8-14(25)7-15-20-22(38-4-3-18(35-38)24(26,27)28)16(11-31-23(20)32-21(15)17)13-5-12(9-29-10-13)6-19-33-36-37-34-19/h3-5,7-11,30H,2,6H2,1H3,(H,31,32)(H,33,34,36,37)
• InChIKey: FSUQQECOGOOIFR-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 125.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.47
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-ethyl-6-fluoro-3-[5-(2H-tetrazol-5-ylmethyl)-3-pyridinyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-8-amine (CID 162667004) is N-ethyl-6-fluoro-3-[5-(2H-tetrazol-5-ylmethyl)-3-pyridinyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-8-amine.

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

The canonical SMILES for N-ethyl-6-fluoro-3-[5-(2H-tetrazol-5-ylmethyl)-3-pyridinyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-8-amine is CCNc1cc(F)cc2c1[nH]c1ncc(-c3cncc(Cc4nn[nH]n4)c3)c(-n3ccc(C(F)(F)F)n3)c12.

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

The InChIKey is FSUQQECOGOOIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F4N10/c1-2-30-17-8-14(25)7-15-20-22(38-4-3-18(35-38)24(26,27)28)16(11-31-23(20)32-21(15)17)13-5-12(9-29-10-13)6-19-33-36-37-34-19/h3-5,7-11,30H,2,6H2,1H3,(H,31,32)(H,33,34,36,37).

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

N-ethyl-6-fluoro-3-[5-(2H-tetrazol-5-ylmethyl)-3-pyridinyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-8-amine has a molecular weight of 522.47 g/mol, XLogP of 4.66, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-6-fluoro-3-[5-(2H-tetrazol-5-ylmethyl)-3-pyridinyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-8-amine is sourced from PubChem (CID 162667004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).