[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]indazol-1-yl]-2-pyridinyl]methanol

C24H19F3N6OS — CID 118664925

IUPAC[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]indazol-1-yl]-2-pyridinyl]methanol
SMILESC[C@H](N)c1cccc(-c2cc(-c3nc(C(F)(F)F)cs3)c3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C24H19F3N6OS/c1-13(28)18-5-3-6-19(31-18)14-8-16(23-32-21(12-35-23)24(25,26)27)17-10-29-33(20(17)9-14)22-7-2-4-15(11-34)30-22/h2-10,12-13,34H,11,28H2,1H3/t13-/m0/s1
InChIKeySPTRTQIESIUULI-ZDUSSCGKSA-N
MW496.52 g/mol
LogP5.14
Rot. Bonds5

About [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]indazol-1-yl]-2-pyridinyl]methanol

[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]indazol-1-yl]-2-pyridinyl]methanol (PubChem CID 118664925) has the molecular formula C24H19F3N6OS and a molecular weight of 496.52 g/mol. Its IUPAC name is [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]indazol-1-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]indazol-1-yl]-2-pyridinyl]methanol
PubChem CID118664925
Molecular FormulaC24H19F3N6OS
Molecular Weight496.52 g/mol
Exact Mass496.13
IUPAC Name[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]indazol-1-yl]-2-pyridinyl]methanol
SMILESC[C@H](N)c1cccc(-c2cc(-c3nc(C(F)(F)F)cs3)c3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C24H19F3N6OS/c1-13(28)18-5-3-6-19(31-18)14-8-16(23-32-21(12-35-23)24(25,26)27)17-10-29-33(20(17)9-14)22-7-2-4-15(11-34)30-22/h2-10,12-13,34H,11,28H2,1H3/t13-/m0/s1
InChIKeySPTRTQIESIUULI-ZDUSSCGKSA-N
XLogP5.14
TPSA102.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.52
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-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-[4-(trifluoromethyl)-1,3-thiazol-2-yl]indazol-1-yl]-2-pyridinyl]methanol?
The IUPAC name of [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]indazol-1-yl]-2-pyridinyl]methanol (CID 118664925) is [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]indazol-1-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]indazol-1-yl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]indazol-1-yl]-2-pyridinyl]methanol is C[C@H](N)c1cccc(-c2cc(-c3nc(C(F)(F)F)cs3)c3cnn(-c4cccc(CO)n4)c3c2)n1.
What is the InChIKey of [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]indazol-1-yl]-2-pyridinyl]methanol?
The InChIKey is SPTRTQIESIUULI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C24H19F3N6OS/c1-13(28)18-5-3-6-19(31-18)14-8-16(23-32-21(12-35-23)24(25,26)27)17-10-29-33(20(17)9-14)22-7-2-4-15(11-34)30-22/h2-10,12-13,34H,11,28H2,1H3/t13-/m0/s1.
What are the key properties of [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]indazol-1-yl]-2-pyridinyl]methanol?
[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]indazol-1-yl]-2-pyridinyl]methanol has a molecular weight of 496.52 g/mol, XLogP of 5.14, 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-[4-(trifluoromethyl)-1,3-thiazol-2-yl]indazol-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 118664925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).