[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[1-(trifluoromethyl)pyrazol-4-yl]indazol-1-yl]-2-pyridinyl]methanol

C24H20F3N7O — CID 130227354

IUPAC[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[1-(trifluoromethyl)pyrazol-4-yl]indazol-1-yl]-2-pyridinyl]methanol
SMILESC[C@H](N)c1cccc(-c2cc(-c3cnn(C(F)(F)F)c3)c3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C24H20F3N7O/c1-14(28)20-5-3-6-21(32-20)15-8-18(16-10-29-33(12-16)24(25,26)27)19-11-30-34(22(19)9-15)23-7-2-4-17(13-35)31-23/h2-12,14,35H,13,28H2,1H3/t14-/m0/s1
InChIKeyKAWAFQQCLRWEFX-AWEZNQCLSA-N
MW479.47 g/mol
LogP4.33
Rot. Bonds5

About [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[1-(trifluoromethyl)pyrazol-4-yl]indazol-1-yl]-2-pyridinyl]methanol

[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[1-(trifluoromethyl)pyrazol-4-yl]indazol-1-yl]-2-pyridinyl]methanol (PubChem CID 130227354) has the molecular formula C24H20F3N7O and a molecular weight of 479.47 g/mol. Its IUPAC name is [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[1-(trifluoromethyl)pyrazol-4-yl]indazol-1-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[1-(trifluoromethyl)pyrazol-4-yl]indazol-1-yl]-2-pyridinyl]methanol
PubChem CID130227354
Molecular FormulaC24H20F3N7O
Molecular Weight479.47 g/mol
Exact Mass479.17
IUPAC Name[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[1-(trifluoromethyl)pyrazol-4-yl]indazol-1-yl]-2-pyridinyl]methanol
SMILESC[C@H](N)c1cccc(-c2cc(-c3cnn(C(F)(F)F)c3)c3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C24H20F3N7O/c1-14(28)20-5-3-6-21(32-20)15-8-18(16-10-29-33(12-16)24(25,26)27)19-11-30-34(22(19)9-15)23-7-2-4-17(13-35)31-23/h2-12,14,35H,13,28H2,1H3/t14-/m0/s1
InChIKeyKAWAFQQCLRWEFX-AWEZNQCLSA-N
XLogP4.33
TPSA107.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.47
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[1-(trifluoromethyl)pyrazol-4-yl]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

Frequently Asked Questions

What is the IUPAC name of [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[1-(trifluoromethyl)pyrazol-4-yl]indazol-1-yl]-2-pyridinyl]methanol?
The IUPAC name of [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[1-(trifluoromethyl)pyrazol-4-yl]indazol-1-yl]-2-pyridinyl]methanol (CID 130227354) is [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[1-(trifluoromethyl)pyrazol-4-yl]indazol-1-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[1-(trifluoromethyl)pyrazol-4-yl]indazol-1-yl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[1-(trifluoromethyl)pyrazol-4-yl]indazol-1-yl]-2-pyridinyl]methanol is C[C@H](N)c1cccc(-c2cc(-c3cnn(C(F)(F)F)c3)c3cnn(-c4cccc(CO)n4)c3c2)n1.
What is the InChIKey of [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[1-(trifluoromethyl)pyrazol-4-yl]indazol-1-yl]-2-pyridinyl]methanol?
The InChIKey is KAWAFQQCLRWEFX-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H20F3N7O/c1-14(28)20-5-3-6-21(32-20)15-8-18(16-10-29-33(12-16)24(25,26)27)19-11-30-34(22(19)9-15)23-7-2-4-17(13-35)31-23/h2-12,14,35H,13,28H2,1H3/t14-/m0/s1.
What are the key properties of [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[1-(trifluoromethyl)pyrazol-4-yl]indazol-1-yl]-2-pyridinyl]methanol?
[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[1-(trifluoromethyl)pyrazol-4-yl]indazol-1-yl]-2-pyridinyl]methanol has a molecular weight of 479.47 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[1-(trifluoromethyl)pyrazol-4-yl]indazol-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 130227354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).