2,6-dichloro-N-[3-[(3-hydroxypropylamino)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide

C19H17Cl2F3N4O2 — CID 139797439

IUPAC2,6-dichloro-N-[3-[(3-hydroxypropylamino)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide
SMILESO=C(Nc1cccn2c(CNCCCO)c(C(F)(F)F)nc12)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H17Cl2F3N4O2/c20-11-4-1-5-12(21)15(11)18(30)26-13-6-2-8-28-14(10-25-7-3-9-29)16(19(22,23)24)27-17(13)28/h1-2,4-6,8,25,29H,3,7,9-10H2,(H,26,30)
InChIKeyPYGOULMKZCGHJC-UHFFFAOYSA-N
MW461.27 g/mol
LogP4.38
Rot. Bonds7

About 2,6-dichloro-N-[3-[(3-hydroxypropylamino)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide

2,6-dichloro-N-[3-[(3-hydroxypropylamino)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide (PubChem CID 139797439) has the molecular formula C19H17Cl2F3N4O2 and a molecular weight of 461.27 g/mol. Its IUPAC name is 2,6-dichloro-N-[3-[(3-hydroxypropylamino)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[3-[(3-hydroxypropylamino)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide
PubChem CID139797439
Molecular FormulaC19H17Cl2F3N4O2
Molecular Weight461.27 g/mol
Exact Mass460.07
IUPAC Name2,6-dichloro-N-[3-[(3-hydroxypropylamino)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide
SMILESO=C(Nc1cccn2c(CNCCCO)c(C(F)(F)F)nc12)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H17Cl2F3N4O2/c20-11-4-1-5-12(21)15(11)18(30)26-13-6-2-8-28-14(10-25-7-3-9-29)16(19(22,23)24)27-17(13)28/h1-2,4-6,8,25,29H,3,7,9-10H2,(H,26,30)
InChIKeyPYGOULMKZCGHJC-UHFFFAOYSA-N
XLogP4.38
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.27
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,6-Dichloro-N-{2-[(2-{[(2s)-1-Hydroxypropan-2-Yl]amino}-6-Methylpyrimidin-4-Yl)amino]pyridin-4-Yl}benzamide
CID 68672618
2-[8-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
CID 10738832
Aminoimidazo[1,2-a]pyridine deriv. 2e
CID 5330604
N-butyl-2-(6,8-dichloro-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 10499752
2-[8-acetamido-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
CID 10598562
2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-propylacetamide
CID 10782473
2-[2-(4-chlorophenyl)-8-(methylamino)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
CID 10787073
4-chloro-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide
CID 884414
1-(8-(2-chloro-4-fluorobenzylamino)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl)pyridin-2(1H)-one
CID 24888656
4-chloro-N-[3-[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazol-2-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 46865102
[2-chloro-3-(trifluoromethyl)phenyl]-[(4R)-4-methyl-1-pyridin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
CID 86271008
(2-Chloro-3-(trifluoromethyl)phenyl)(1-(pyridin-2-yl)-6,7-dihydro-1H-imidazo[4,5-c]pyridin-5 (4H)-yl)methanone
CID 86271658

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[3-[(3-hydroxypropylamino)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[3-[(3-hydroxypropylamino)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide (CID 139797439) is 2,6-dichloro-N-[3-[(3-hydroxypropylamino)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[3-[(3-hydroxypropylamino)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[3-[(3-hydroxypropylamino)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide is O=C(Nc1cccn2c(CNCCCO)c(C(F)(F)F)nc12)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[3-[(3-hydroxypropylamino)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide?
The InChIKey is PYGOULMKZCGHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2F3N4O2/c20-11-4-1-5-12(21)15(11)18(30)26-13-6-2-8-28-14(10-25-7-3-9-29)16(19(22,23)24)27-17(13)28/h1-2,4-6,8,25,29H,3,7,9-10H2,(H,26,30).
What are the key properties of 2,6-dichloro-N-[3-[(3-hydroxypropylamino)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide?
2,6-dichloro-N-[3-[(3-hydroxypropylamino)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide has a molecular weight of 461.27 g/mol, XLogP of 4.38, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[3-[(3-hydroxypropylamino)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide is sourced from PubChem (CID 139797439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).