N-(2-amino-6-fluorophenyl)-4-[[4-[6-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide

C26H24FN7OS — CID 25153844

IUPACN-(2-amino-6-fluorophenyl)-4-[[4-[6-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
SMILESCN(C)Cc1ccc2ncc(-c3csc(Nc4ccc(C(=O)Nc5c(N)cccc5F)cc4)n3)n2c1
InChIInChI=1S/C26H24FN7OS/c1-33(2)13-16-6-11-23-29-12-22(34(23)14-16)21-15-36-26(31-21)30-18-9-7-17(8-10-18)25(35)32-24-19(27)4-3-5-20(24)28/h3-12,14-15H,13,28H2,1-2H3,(H,30,31)(H,32,35)
InChIKeyQVEUKYUKYRBDKB-UHFFFAOYSA-N
MW501.59 g/mol
LogP5.24
Rot. Bonds7

About N-(2-amino-6-fluorophenyl)-4-[[4-[6-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide

N-(2-amino-6-fluorophenyl)-4-[[4-[6-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide (PubChem CID 25153844) has the molecular formula C26H24FN7OS and a molecular weight of 501.59 g/mol. Its IUPAC name is N-(2-amino-6-fluorophenyl)-4-[[4-[6-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-(2-amino-6-fluorophenyl)-4-[[4-[6-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
PubChem CID25153844
Molecular FormulaC26H24FN7OS
Molecular Weight501.59 g/mol
Exact Mass501.17
IUPAC NameN-(2-amino-6-fluorophenyl)-4-[[4-[6-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
SMILESCN(C)Cc1ccc2ncc(-c3csc(Nc4ccc(C(=O)Nc5c(N)cccc5F)cc4)n3)n2c1
InChIInChI=1S/C26H24FN7OS/c1-33(2)13-16-6-11-23-29-12-22(34(23)14-16)21-15-36-26(31-21)30-18-9-7-17(8-10-18)25(35)32-24-19(27)4-3-5-20(24)28/h3-12,14-15H,13,28H2,1-2H3,(H,30,31)(H,32,35)
InChIKeyQVEUKYUKYRBDKB-UHFFFAOYSA-N
XLogP5.24
TPSA100.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.59
LogP ≤ 55.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-fluorophenyl)-4-[[4-[6-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide?
The IUPAC name of N-(2-amino-6-fluorophenyl)-4-[[4-[6-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide (CID 25153844) is N-(2-amino-6-fluorophenyl)-4-[[4-[6-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide.
What is the SMILES notation for N-(2-amino-6-fluorophenyl)-4-[[4-[6-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide?
The canonical SMILES for N-(2-amino-6-fluorophenyl)-4-[[4-[6-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide is CN(C)Cc1ccc2ncc(-c3csc(Nc4ccc(C(=O)Nc5c(N)cccc5F)cc4)n3)n2c1.
What is the InChIKey of N-(2-amino-6-fluorophenyl)-4-[[4-[6-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide?
The InChIKey is QVEUKYUKYRBDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7OS/c1-33(2)13-16-6-11-23-29-12-22(34(23)14-16)21-15-36-26(31-21)30-18-9-7-17(8-10-18)25(35)32-24-19(27)4-3-5-20(24)28/h3-12,14-15H,13,28H2,1-2H3,(H,30,31)(H,32,35).
What are the key properties of N-(2-amino-6-fluorophenyl)-4-[[4-[6-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide?
N-(2-amino-6-fluorophenyl)-4-[[4-[6-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide has a molecular weight of 501.59 g/mol, XLogP of 5.24, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-fluorophenyl)-4-[[4-[6-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide is sourced from PubChem (CID 25153844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).