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

C27H25ClF2N6O5 — CID 135205917

IUPAC5-[[2-[4-[5-chloro-2-[4-(difluoromethyl)imidazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide
SMILESCOCCC(C(=O)Nc1ccc(C(N)=O)nc1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cnc(C(F)F)c2)cc1=O
InChIInChI=1S/C27H25ClF2N6O5/c1-40-8-7-22(27(39)34-16-4-5-19(26(31)38)32-11-16)36-13-23(41-2)18(10-24(36)37)17-9-15(28)3-6-21(17)35-12-20(25(29)30)33-14-35/h3-6,9-14,22,25H,7-8H2,1-2H3,(H2,31,38)(H,34,39)
InChIKeySRNOHCLEBDLQNM-UHFFFAOYSA-N
MW586.98 g/mol
LogP4.01
Rot. Bonds11

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

5-[[2-[4-[5-chloro-2-[4-(difluoromethyl)imidazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide (PubChem CID 135205917) has the molecular formula C27H25ClF2N6O5 and a molecular weight of 586.98 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]pyridine-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]pyridine-2-carboxamide
PubChem CID135205917
Molecular FormulaC27H25ClF2N6O5
Molecular Weight586.98 g/mol
Exact Mass586.15
IUPAC Name5-[[2-[4-[5-chloro-2-[4-(difluoromethyl)imidazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide
SMILESCOCCC(C(=O)Nc1ccc(C(N)=O)nc1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cnc(C(F)F)c2)cc1=O
InChIInChI=1S/C27H25ClF2N6O5/c1-40-8-7-22(27(39)34-16-4-5-19(26(31)38)32-11-16)36-13-23(41-2)18(10-24(36)37)17-9-15(28)3-6-21(17)35-12-20(25(29)30)33-14-35/h3-6,9-14,22,25H,7-8H2,1-2H3,(H2,31,38)(H,34,39)
InChIKeySRNOHCLEBDLQNM-UHFFFAOYSA-N
XLogP4.01
TPSA143.36 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.98
LogP ≤ 54.01
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]pyridine-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]pyridine-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]pyridine-2-carboxamide (CID 135205917) is 5-[[2-[4-[5-chloro-2-[4-(difluoromethyl)imidazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-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]pyridine-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]pyridine-2-carboxamide is COCCC(C(=O)Nc1ccc(C(N)=O)nc1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cnc(C(F)F)c2)cc1=O.
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]pyridine-2-carboxamide?
The InChIKey is SRNOHCLEBDLQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClF2N6O5/c1-40-8-7-22(27(39)34-16-4-5-19(26(31)38)32-11-16)36-13-23(41-2)18(10-24(36)37)17-9-15(28)3-6-21(17)35-12-20(25(29)30)33-14-35/h3-6,9-14,22,25H,7-8H2,1-2H3,(H2,31,38)(H,34,39).
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]pyridine-2-carboxamide?
5-[[2-[4-[5-chloro-2-[4-(difluoromethyl)imidazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide has a molecular weight of 586.98 g/mol, XLogP of 4.01, 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]pyridine-2-carboxamide is sourced from PubChem (CID 135205917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).