[2-[5-chloro-6-[1-[1-[3-chloro-4-(1,1-difluoropropyl)anilino]ethenyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-oxazol-4-yl]methanol

C25H24Cl2F2N4O2 — CID 131969584

IUPAC[2-[5-chloro-6-[1-[1-[3-chloro-4-(1,1-difluoropropyl)anilino]ethenyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-oxazol-4-yl]methanol
SMILESC=C(Nc1ccc(C(F)(F)CC)c(Cl)c1)N1CC=C(c2ncc(-c3nc(CO)co3)cc2Cl)CC1
InChIInChI=1S/C25H24Cl2F2N4O2/c1-3-25(28,29)20-5-4-18(11-21(20)26)31-15(2)33-8-6-16(7-9-33)23-22(27)10-17(12-30-23)24-32-19(13-34)14-35-24/h4-6,10-12,14,31,34H,2-3,7-9,13H2,1H3
InChIKeyOCIKEJCMLVVQJJ-UHFFFAOYSA-N
MW521.40 g/mol
LogP6.71
Rot. Bonds8

About [2-[5-chloro-6-[1-[1-[3-chloro-4-(1,1-difluoropropyl)anilino]ethenyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-oxazol-4-yl]methanol

[2-[5-chloro-6-[1-[1-[3-chloro-4-(1,1-difluoropropyl)anilino]ethenyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-oxazol-4-yl]methanol (PubChem CID 131969584) has the molecular formula C25H24Cl2F2N4O2 and a molecular weight of 521.40 g/mol. Its IUPAC name is [2-[5-chloro-6-[1-[1-[3-chloro-4-(1,1-difluoropropyl)anilino]ethenyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[5-chloro-6-[1-[1-[3-chloro-4-(1,1-difluoropropyl)anilino]ethenyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-oxazol-4-yl]methanol
PubChem CID131969584
Molecular FormulaC25H24Cl2F2N4O2
Molecular Weight521.40 g/mol
Exact Mass520.12
IUPAC Name[2-[5-chloro-6-[1-[1-[3-chloro-4-(1,1-difluoropropyl)anilino]ethenyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-oxazol-4-yl]methanol
SMILESC=C(Nc1ccc(C(F)(F)CC)c(Cl)c1)N1CC=C(c2ncc(-c3nc(CO)co3)cc2Cl)CC1
InChIInChI=1S/C25H24Cl2F2N4O2/c1-3-25(28,29)20-5-4-18(11-21(20)26)31-15(2)33-8-6-16(7-9-33)23-22(27)10-17(12-30-23)24-32-19(13-34)14-35-24/h4-6,10-12,14,31,34H,2-3,7-9,13H2,1H3
InChIKeyOCIKEJCMLVVQJJ-UHFFFAOYSA-N
XLogP6.71
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.40
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[5-chloro-6-[1-[1-[3-chloro-4-(1,1-difluoropropyl)anilino]ethenyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-oxazol-4-yl]methanol with MolForge

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Related Compounds

N-[3-chloro-4-(trifluoromethyl)phenyl]-4-[5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 71015568
4-[3-chloro-5-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-2-pyridinyl]-N-[5-(1,1-difluoropropyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 123689415
4-[5-(acetamidomethyl)-3-chloro-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-(acetamidomethyl)-3-chloro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane
CID 158097435
N-[5-chloro-4-(1,1-difluoropropyl)-5-methylcyclohexa-1,3-dien-1-yl]-4-[3-chloro-5-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 131969610
4-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]-N-[4-(1,1-difluoroethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 160703448
4-[3-chloro-5-[5-(2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-(3,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 90380903
[5-[5-chloro-6-[1-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-oxazol-4-yl]methanol
CID 71014548
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-[3-chloro-5-(2-hydroxyethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;ethane
CID 144813754
4-[3-chloro-5-[2,3-dihydrofuran-2-yl(hydroxy)methyl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 71042675
4-[3-chloro-5-(4-propyl-1,3-oxazol-5-yl)-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 123399090
4-[3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 90380957
4-[3-chloro-5-(4-hydroxybutyl)-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 123397111

Frequently Asked Questions

What is the IUPAC name of [2-[5-chloro-6-[1-[1-[3-chloro-4-(1,1-difluoropropyl)anilino]ethenyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-oxazol-4-yl]methanol?
The IUPAC name of [2-[5-chloro-6-[1-[1-[3-chloro-4-(1,1-difluoropropyl)anilino]ethenyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-oxazol-4-yl]methanol (CID 131969584) is [2-[5-chloro-6-[1-[1-[3-chloro-4-(1,1-difluoropropyl)anilino]ethenyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [2-[5-chloro-6-[1-[1-[3-chloro-4-(1,1-difluoropropyl)anilino]ethenyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [2-[5-chloro-6-[1-[1-[3-chloro-4-(1,1-difluoropropyl)anilino]ethenyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-oxazol-4-yl]methanol is C=C(Nc1ccc(C(F)(F)CC)c(Cl)c1)N1CC=C(c2ncc(-c3nc(CO)co3)cc2Cl)CC1.
What is the InChIKey of [2-[5-chloro-6-[1-[1-[3-chloro-4-(1,1-difluoropropyl)anilino]ethenyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-oxazol-4-yl]methanol?
The InChIKey is OCIKEJCMLVVQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2F2N4O2/c1-3-25(28,29)20-5-4-18(11-21(20)26)31-15(2)33-8-6-16(7-9-33)23-22(27)10-17(12-30-23)24-32-19(13-34)14-35-24/h4-6,10-12,14,31,34H,2-3,7-9,13H2,1H3.
What are the key properties of [2-[5-chloro-6-[1-[1-[3-chloro-4-(1,1-difluoropropyl)anilino]ethenyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-oxazol-4-yl]methanol?
[2-[5-chloro-6-[1-[1-[3-chloro-4-(1,1-difluoropropyl)anilino]ethenyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-oxazol-4-yl]methanol has a molecular weight of 521.40 g/mol, XLogP of 6.71, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-chloro-6-[1-[1-[3-chloro-4-(1,1-difluoropropyl)anilino]ethenyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 131969584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).