5-[[2-[4-[5-chloro-2-[4-(difluoromethyl)imidazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide

C28H27ClF2N6O5 — CID 135211501

IUPAC5-[[2-[4-[5-chloro-2-[4-(difluoromethyl)imidazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)C(CCOC)n2cc(OC)c(-c3cc(Cl)ccc3-n3cnc(C(F)F)c3)cc2=O)cn1
InChIInChI=1S/C28H27ClF2N6O5/c1-32-27(39)20-6-5-17(12-33-20)35-28(40)23(8-9-41-2)37-14-24(42-3)19(11-25(37)38)18-10-16(29)4-7-22(18)36-13-21(26(30)31)34-15-36/h4-7,10-15,23,26H,8-9H2,1-3H3,(H,32,39)(H,35,40)
InChIKeyBZGWCVVHLRMNJS-UHFFFAOYSA-N
MW601.01 g/mol
LogP4.27
Rot. Bonds11

About 5-[[2-[4-[5-chloro-2-[4-(difluoromethyl)imidazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide

5-[[2-[4-[5-chloro-2-[4-(difluoromethyl)imidazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide (PubChem CID 135211501) has the molecular formula C28H27ClF2N6O5 and a molecular weight of 601.01 g/mol. Its IUPAC name is 5-[[2-[4-[5-chloro-2-[4-(difluoromethyl)imidazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[2-[4-[5-chloro-2-[4-(difluoromethyl)imidazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide
PubChem CID135211501
Molecular FormulaC28H27ClF2N6O5
Molecular Weight601.01 g/mol
Exact Mass600.17
IUPAC Name5-[[2-[4-[5-chloro-2-[4-(difluoromethyl)imidazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)C(CCOC)n2cc(OC)c(-c3cc(Cl)ccc3-n3cnc(C(F)F)c3)cc2=O)cn1
InChIInChI=1S/C28H27ClF2N6O5/c1-32-27(39)20-6-5-17(12-33-20)35-28(40)23(8-9-41-2)37-14-24(42-3)19(11-25(37)38)18-10-16(29)4-7-22(18)36-13-21(26(30)31)34-15-36/h4-7,10-15,23,26H,8-9H2,1-3H3,(H,32,39)(H,35,40)
InChIKeyBZGWCVVHLRMNJS-UHFFFAOYSA-N
XLogP4.27
TPSA129.37 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500601.01
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[[2-[4-[5-chloro-2-[4-(difluoromethyl)imidazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[4-[5-chloro-2-[4-(difluoromethyl)imidazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[[2-[4-[5-chloro-2-[4-(difluoromethyl)imidazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide (CID 135211501) is 5-[[2-[4-[5-chloro-2-[4-(difluoromethyl)imidazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[[2-[4-[5-chloro-2-[4-(difluoromethyl)imidazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[[2-[4-[5-chloro-2-[4-(difluoromethyl)imidazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(NC(=O)C(CCOC)n2cc(OC)c(-c3cc(Cl)ccc3-n3cnc(C(F)F)c3)cc2=O)cn1.
What is the InChIKey of 5-[[2-[4-[5-chloro-2-[4-(difluoromethyl)imidazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide?
The InChIKey is BZGWCVVHLRMNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClF2N6O5/c1-32-27(39)20-6-5-17(12-33-20)35-28(40)23(8-9-41-2)37-14-24(42-3)19(11-25(37)38)18-10-16(29)4-7-22(18)36-13-21(26(30)31)34-15-36/h4-7,10-15,23,26H,8-9H2,1-3H3,(H,32,39)(H,35,40).
What are the key properties of 5-[[2-[4-[5-chloro-2-[4-(difluoromethyl)imidazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide?
5-[[2-[4-[5-chloro-2-[4-(difluoromethyl)imidazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide has a molecular weight of 601.01 g/mol, XLogP of 4.27, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[4-[5-chloro-2-[4-(difluoromethyl)imidazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 135211501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).