N-[3-(cyclobutadienyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(2,5-dichlorophenyl)acetamide

C19H11Cl2F3N4O — CID 118692501

IUPACN-[3-(cyclobutadienyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(2,5-dichlorophenyl)acetamide
SMILESO=C(Cc1cc(Cl)ccc1Cl)Nc1nc2cc(C(F)(F)F)cnc2n1C1=CC=C1
InChIInChI=1S/C19H11Cl2F3N4O/c20-12-4-5-14(21)10(6-12)7-16(29)27-18-26-15-8-11(19(22,23)24)9-25-17(15)28(18)13-2-1-3-13/h1-6,8-9H,7H2,(H,26,27,29)
InChIKeyDPONFWKNRKQRDA-UHFFFAOYSA-N
MW439.22 g/mol
LogP5.35
Rot. Bonds4

About N-[3-(cyclobutadienyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(2,5-dichlorophenyl)acetamide

N-[3-(cyclobutadienyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(2,5-dichlorophenyl)acetamide (PubChem CID 118692501) has the molecular formula C19H11Cl2F3N4O and a molecular weight of 439.22 g/mol. Its IUPAC name is N-[3-(cyclobutadienyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(2,5-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-(cyclobutadienyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(2,5-dichlorophenyl)acetamide
PubChem CID118692501
Molecular FormulaC19H11Cl2F3N4O
Molecular Weight439.22 g/mol
Exact Mass438.03
IUPAC NameN-[3-(cyclobutadienyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(2,5-dichlorophenyl)acetamide
SMILESO=C(Cc1cc(Cl)ccc1Cl)Nc1nc2cc(C(F)(F)F)cnc2n1C1=CC=C1
InChIInChI=1S/C19H11Cl2F3N4O/c20-12-4-5-14(21)10(6-12)7-16(29)27-18-26-15-8-11(19(22,23)24)9-25-17(15)28(18)13-2-1-3-13/h1-6,8-9H,7H2,(H,26,27,29)
InChIKeyDPONFWKNRKQRDA-UHFFFAOYSA-N
XLogP5.35
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.22
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(cyclobutadienyl)-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
CID 118938438
N-[5-chloro-3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 118692573
N-[3-(cyclobutadienyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4-dimethylpentanamide
CID 118692455
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide
CID 2388407
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 2452228
2-(4-chlorophenyl)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]acetamide
CID 110208650
N-[3-(cyclobutadienyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4-methoxypentanamide
CID 118692502
N-(6-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(4-methylphenyl)acetamide
CID 118697302
N-[3-(cyclobutadienyl)-5-ethynylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
CID 118692640
2-(3-bromo-6-chloroindazol-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 134544086
N-[3,5-bis(trifluoromethyl)phenyl]-2-[[5-[(2,5-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 18871499
1-(4-chlorophenyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]urea
CID 2745367

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclobutadienyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(2,5-dichlorophenyl)acetamide?
The IUPAC name of N-[3-(cyclobutadienyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(2,5-dichlorophenyl)acetamide (CID 118692501) is N-[3-(cyclobutadienyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(2,5-dichlorophenyl)acetamide.
What is the SMILES notation for N-[3-(cyclobutadienyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(2,5-dichlorophenyl)acetamide?
The canonical SMILES for N-[3-(cyclobutadienyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(2,5-dichlorophenyl)acetamide is O=C(Cc1cc(Cl)ccc1Cl)Nc1nc2cc(C(F)(F)F)cnc2n1C1=CC=C1.
What is the InChIKey of N-[3-(cyclobutadienyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(2,5-dichlorophenyl)acetamide?
The InChIKey is DPONFWKNRKQRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2F3N4O/c20-12-4-5-14(21)10(6-12)7-16(29)27-18-26-15-8-11(19(22,23)24)9-25-17(15)28(18)13-2-1-3-13/h1-6,8-9H,7H2,(H,26,27,29).
What are the key properties of N-[3-(cyclobutadienyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(2,5-dichlorophenyl)acetamide?
N-[3-(cyclobutadienyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(2,5-dichlorophenyl)acetamide has a molecular weight of 439.22 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclobutadienyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(2,5-dichlorophenyl)acetamide is sourced from PubChem (CID 118692501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).