5-[[2-[4-(5-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide

C29H31FN6O4 — CID 137447781

IUPAC5-[[2-[4-(5-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)C(Cc2ccn(C)n2)n2cc(OC)c(-c3cc(F)ccc3C(C)C)cc2=O)cn1
InChIInChI=1S/C29H31FN6O4/c1-17(2)21-8-6-18(30)12-22(21)23-14-27(37)36(16-26(23)40-5)25(13-19-10-11-35(4)34-19)29(39)33-20-7-9-24(32-15-20)28(38)31-3/h6-12,14-17,25H,13H2,1-5H3,(H,31,38)(H,33,39)
InChIKeyGSSOKSMXFITZEY-UHFFFAOYSA-N
MW546.60 g/mol
LogP3.70
Rot. Bonds9

About 5-[[2-[4-(5-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide

5-[[2-[4-(5-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide (PubChem CID 137447781) has the molecular formula C29H31FN6O4 and a molecular weight of 546.60 g/mol. Its IUPAC name is 5-[[2-[4-(5-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[2-[4-(5-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide
PubChem CID137447781
Molecular FormulaC29H31FN6O4
Molecular Weight546.60 g/mol
Exact Mass546.24
IUPAC Name5-[[2-[4-(5-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)C(Cc2ccn(C)n2)n2cc(OC)c(-c3cc(F)ccc3C(C)C)cc2=O)cn1
InChIInChI=1S/C29H31FN6O4/c1-17(2)21-8-6-18(30)12-22(21)23-14-27(37)36(16-26(23)40-5)25(13-19-10-11-35(4)34-19)29(39)33-20-7-9-24(32-15-20)28(38)31-3/h6-12,14-17,25H,13H2,1-5H3,(H,31,38)(H,33,39)
InChIKeyGSSOKSMXFITZEY-UHFFFAOYSA-N
XLogP3.70
TPSA120.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.60
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[4-(5-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[[2-[4-(5-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide (CID 137447781) is 5-[[2-[4-(5-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[[2-[4-(5-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[[2-[4-(5-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(NC(=O)C(Cc2ccn(C)n2)n2cc(OC)c(-c3cc(F)ccc3C(C)C)cc2=O)cn1.
What is the InChIKey of 5-[[2-[4-(5-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide?
The InChIKey is GSSOKSMXFITZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN6O4/c1-17(2)21-8-6-18(30)12-22(21)23-14-27(37)36(16-26(23)40-5)25(13-19-10-11-35(4)34-19)29(39)33-20-7-9-24(32-15-20)28(38)31-3/h6-12,14-17,25H,13H2,1-5H3,(H,31,38)(H,33,39).
What are the key properties of 5-[[2-[4-(5-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide?
5-[[2-[4-(5-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide has a molecular weight of 546.60 g/mol, XLogP of 3.70, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[4-(5-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 137447781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).