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

C27H26ClFN6O5 — CID 135211518

IUPAC5-[[2-[4-[5-chloro-2-(4-fluoropyrazol-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-n3cc(F)cn3)cc2=O)cn1
InChIInChI=1S/C27H26ClFN6O5/c1-30-26(37)21-6-5-18(13-31-21)33-27(38)23(8-9-39-2)34-15-24(40-3)20(11-25(34)36)19-10-16(28)4-7-22(19)35-14-17(29)12-32-35/h4-7,10-15,23H,8-9H2,1-3H3,(H,30,37)(H,33,38)
InChIKeyVTZPJMDYPXOBMS-UHFFFAOYSA-N
MW568.99 g/mol
LogP3.47
Rot. Bonds10

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

5-[[2-[4-[5-chloro-2-(4-fluoropyrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide (PubChem CID 135211518) has the molecular formula C27H26ClFN6O5 and a molecular weight of 568.99 g/mol. Its IUPAC name is 5-[[2-[4-[5-chloro-2-(4-fluoropyrazol-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-fluoropyrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide
PubChem CID135211518
Molecular FormulaC27H26ClFN6O5
Molecular Weight568.99 g/mol
Exact Mass568.16
IUPAC Name5-[[2-[4-[5-chloro-2-(4-fluoropyrazol-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-n3cc(F)cn3)cc2=O)cn1
InChIInChI=1S/C27H26ClFN6O5/c1-30-26(37)21-6-5-18(13-31-21)33-27(38)23(8-9-39-2)34-15-24(40-3)20(11-25(34)36)19-10-16(28)4-7-22(19)35-14-17(29)12-32-35/h4-7,10-15,23H,8-9H2,1-3H3,(H,30,37)(H,33,38)
InChIKeyVTZPJMDYPXOBMS-UHFFFAOYSA-N
XLogP3.47
TPSA129.37 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.99
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[4-[5-chloro-2-(4-fluoropyrazol-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-fluoropyrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide (CID 135211518) is 5-[[2-[4-[5-chloro-2-(4-fluoropyrazol-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-fluoropyrazol-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-fluoropyrazol-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-n3cc(F)cn3)cc2=O)cn1.
What is the InChIKey of 5-[[2-[4-[5-chloro-2-(4-fluoropyrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide?
The InChIKey is VTZPJMDYPXOBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClFN6O5/c1-30-26(37)21-6-5-18(13-31-21)33-27(38)23(8-9-39-2)34-15-24(40-3)20(11-25(34)36)19-10-16(28)4-7-22(19)35-14-17(29)12-32-35/h4-7,10-15,23H,8-9H2,1-3H3,(H,30,37)(H,33,38).
What are the key properties of 5-[[2-[4-[5-chloro-2-(4-fluoropyrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide?
5-[[2-[4-[5-chloro-2-(4-fluoropyrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide has a molecular weight of 568.99 g/mol, XLogP of 3.47, 10 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-fluoropyrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 135211518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).