2-chloro-6-(cyclopropyliminomethyl)-4-[2-[3-(difluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]aniline;formamide

C28H25ClF6N4O2 — CID 169240807

IUPAC2-chloro-6-(cyclopropyliminomethyl)-4-[2-[3-(difluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]aniline;formamide
SMILESNC=O.Nc1c(Cl)cc(CC(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3C(F)F)C(F)(F)F)cc1/C=N/C1CC1
InChIInChI=1S/C27H22ClF6N3O.CH3NO/c28-21-9-13(7-15(23(21)35)11-36-17-5-6-17)8-20(27(32,33)34)22-10-18-19(26(30)31)12-38-25(18)24(37-22)14-1-3-16(29)4-2-14;2-1-3/h1-4,7,9-11,17,19-20,26H,5-6,8,12,35H2;1H,(H2,2,3)/b36-11+;
InChIKeyXHERVMOXDICCGQ-SJXUZJPVSA-N
MW598.98 g/mol
LogP6.44
Rot. Bonds7

About 2-chloro-6-(cyclopropyliminomethyl)-4-[2-[3-(difluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]aniline;formamide

2-chloro-6-(cyclopropyliminomethyl)-4-[2-[3-(difluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]aniline;formamide (PubChem CID 169240807) has the molecular formula C28H25ClF6N4O2 and a molecular weight of 598.98 g/mol. Its IUPAC name is 2-chloro-6-(cyclopropyliminomethyl)-4-[2-[3-(difluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]aniline;formamide.

Molecular Properties

Compound Name2-chloro-6-(cyclopropyliminomethyl)-4-[2-[3-(difluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]aniline;formamide
PubChem CID169240807
Molecular FormulaC28H25ClF6N4O2
Molecular Weight598.98 g/mol
Exact Mass598.16
IUPAC Name2-chloro-6-(cyclopropyliminomethyl)-4-[2-[3-(difluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]aniline;formamide
SMILESNC=O.Nc1c(Cl)cc(CC(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3C(F)F)C(F)(F)F)cc1/C=N/C1CC1
InChIInChI=1S/C27H22ClF6N3O.CH3NO/c28-21-9-13(7-15(23(21)35)11-36-17-5-6-17)8-20(27(32,33)34)22-10-18-19(26(30)31)12-38-25(18)24(37-22)14-1-3-16(29)4-2-14;2-1-3/h1-4,7,9-11,17,19-20,26H,5-6,8,12,35H2;1H,(H2,2,3)/b36-11+;
InChIKeyXHERVMOXDICCGQ-SJXUZJPVSA-N
XLogP6.44
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.98
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-chloro-6-(cyclopropyliminomethyl)-4-[2-[3-(difluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]aniline;formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-chloro-4-fluorophenyl)-5-ethyl-7-phenyl-2H-furo[2,3-c]pyridine-2,3-diamine
CID 153945837
N-[2-[7-(3-chloro-4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-1-[3-(trifluoromethyl)quinolin-6-yl]ethenamine;ethane;formamide
CID 156718009
N-[2-cyclopropyl-2-[7-(3,4-difluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]formamide;ethane;4-methyl-2-(methyliminomethyl)aniline
CID 156809913
4-[2-[6-(3-chloro-4-fluorophenyl)-4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2-cyclopropylethyl]-2-methoxy-6-(methyliminomethyl)aniline;(Z)-prop-1-en-1-amine
CID 156809919
N-[2-cyclopropyl-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]formamide;ethane;4-methyl-2-(methyliminomethyl)aniline
CID 156809945
4-amino-N-[(2R)-2-[7-(3-chloro-4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]-3-(cyclopropyliminomethyl)-5-methoxybenzamide
CID 156809968
2-[(Z)-2-aminoprop-1-enyl]-6-cyclopropyloxy-4-methylaniline;fluoromethane;N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]formamide
CID 156872491
4-[5-[3-[4-Amino-3-(cyclopropyliminomethyl)-5-methoxyphenyl]-1,1,1-trifluoropropan-2-yl]-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-7-yl]-2-chlorobenzonitrile;formamide
CID 164910489
N-[(Z)-[3-[2-[7-(2-chloro-4,5-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene]methyl]propan-1-amine;formamide
CID 164910566
2-Chloro-6-(cyclopropyliminomethyl)-4-[1-[[3,3,3-trifluoro-2-[3-fluoro-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]amino]ethenyl]aniline;formamide
CID 165395623
N-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide
CID 166782830
N-[2-[7-(4-chlorophenyl)-3,3-bis(fluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide
CID 166783285

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(cyclopropyliminomethyl)-4-[2-[3-(difluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]aniline;formamide?
The IUPAC name of 2-chloro-6-(cyclopropyliminomethyl)-4-[2-[3-(difluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]aniline;formamide (CID 169240807) is 2-chloro-6-(cyclopropyliminomethyl)-4-[2-[3-(difluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]aniline;formamide.
What is the SMILES notation for 2-chloro-6-(cyclopropyliminomethyl)-4-[2-[3-(difluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]aniline;formamide?
The canonical SMILES for 2-chloro-6-(cyclopropyliminomethyl)-4-[2-[3-(difluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]aniline;formamide is NC=O.Nc1c(Cl)cc(CC(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3C(F)F)C(F)(F)F)cc1/C=N/C1CC1.
What is the InChIKey of 2-chloro-6-(cyclopropyliminomethyl)-4-[2-[3-(difluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]aniline;formamide?
The InChIKey is XHERVMOXDICCGQ-SJXUZJPVSA-N. The full InChI is InChI=1S/C27H22ClF6N3O.CH3NO/c28-21-9-13(7-15(23(21)35)11-36-17-5-6-17)8-20(27(32,33)34)22-10-18-19(26(30)31)12-38-25(18)24(37-22)14-1-3-16(29)4-2-14;2-1-3/h1-4,7,9-11,17,19-20,26H,5-6,8,12,35H2;1H,(H2,2,3)/b36-11+;.
What are the key properties of 2-chloro-6-(cyclopropyliminomethyl)-4-[2-[3-(difluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]aniline;formamide?
2-chloro-6-(cyclopropyliminomethyl)-4-[2-[3-(difluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]aniline;formamide has a molecular weight of 598.98 g/mol, XLogP of 6.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(cyclopropyliminomethyl)-4-[2-[3-(difluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]aniline;formamide is sourced from PubChem (CID 169240807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).