[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(trifluoromethoxy)indazol-1-yl]-2-pyridinyl]methanol

C23H22F3N5O2 — CID 118663802

IUPAC[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(trifluoromethoxy)indazol-1-yl]-2-pyridinyl]methanol
SMILESCCC[C@H](N)c1cccc(-c2cc(OC(F)(F)F)c3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C23H22F3N5O2/c1-2-5-17(27)19-8-4-7-18(30-19)14-10-20-16(21(11-14)33-23(24,25)26)12-28-31(20)22-9-3-6-15(13-32)29-22/h3-4,6-12,17,32H,2,5,13,27H2,1H3/t17-/m0/s1
InChIKeyMAFQTVDCICNRED-KRWDZBQOSA-N
MW457.46 g/mol
LogP4.67
Rot. Bonds7

About [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(trifluoromethoxy)indazol-1-yl]-2-pyridinyl]methanol

[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(trifluoromethoxy)indazol-1-yl]-2-pyridinyl]methanol (PubChem CID 118663802) has the molecular formula C23H22F3N5O2 and a molecular weight of 457.46 g/mol. Its IUPAC name is [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(trifluoromethoxy)indazol-1-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(trifluoromethoxy)indazol-1-yl]-2-pyridinyl]methanol
PubChem CID118663802
Molecular FormulaC23H22F3N5O2
Molecular Weight457.46 g/mol
Exact Mass457.17
IUPAC Name[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(trifluoromethoxy)indazol-1-yl]-2-pyridinyl]methanol
SMILESCCC[C@H](N)c1cccc(-c2cc(OC(F)(F)F)c3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C23H22F3N5O2/c1-2-5-17(27)19-8-4-7-18(30-19)14-10-20-16(21(11-14)33-23(24,25)26)12-28-31(20)22-9-3-6-15(13-32)29-22/h3-4,6-12,17,32H,2,5,13,27H2,1H3/t17-/m0/s1
InChIKeyMAFQTVDCICNRED-KRWDZBQOSA-N
XLogP4.67
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.46
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(trifluoromethoxy)indazol-1-yl]-2-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Sgc-clk-1
CID 6539389
4-[[4-(4-Methoxyindazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 24961360
4-[[4-(4-Propoxyindazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 59743458
6-(2-Fluoro-6-methoxyphenyl)-1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine
CID 162644299
1-[6-[6-(2-Fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-amine
CID 162646424
6-[6-(2-Fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyridin-2-amine
CID 162666036
US10246456, Example 510
CID 118663577
US10246456, Example 572
CID 118663619
US10246456, Example 564
CID 118663642
US10246456, Example 579
CID 118663645
US10246456, Example 437
CID 118663658
US10577367, Example 452
CID 118663769

Frequently Asked Questions

What is the IUPAC name of [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(trifluoromethoxy)indazol-1-yl]-2-pyridinyl]methanol?
The IUPAC name of [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(trifluoromethoxy)indazol-1-yl]-2-pyridinyl]methanol (CID 118663802) is [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(trifluoromethoxy)indazol-1-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(trifluoromethoxy)indazol-1-yl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(trifluoromethoxy)indazol-1-yl]-2-pyridinyl]methanol is CCC[C@H](N)c1cccc(-c2cc(OC(F)(F)F)c3cnn(-c4cccc(CO)n4)c3c2)n1.
What is the InChIKey of [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(trifluoromethoxy)indazol-1-yl]-2-pyridinyl]methanol?
The InChIKey is MAFQTVDCICNRED-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H22F3N5O2/c1-2-5-17(27)19-8-4-7-18(30-19)14-10-20-16(21(11-14)33-23(24,25)26)12-28-31(20)22-9-3-6-15(13-32)29-22/h3-4,6-12,17,32H,2,5,13,27H2,1H3/t17-/m0/s1.
What are the key properties of [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(trifluoromethoxy)indazol-1-yl]-2-pyridinyl]methanol?
[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(trifluoromethoxy)indazol-1-yl]-2-pyridinyl]methanol has a molecular weight of 457.46 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(trifluoromethoxy)indazol-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 118663802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).