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

C29H28ClF3N6O5 — CID 135211552

IUPAC5-[[2-[4-[5-chloro-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-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-c3cnn(CC(F)(F)F)c3)cc2=O)cn1
InChIInChI=1S/C29H28ClF3N6O5/c1-34-27(41)23-7-5-19(13-35-23)37-28(42)24(8-9-43-2)39-15-25(44-3)22(11-26(39)40)21-10-18(30)4-6-20(21)17-12-36-38(14-17)16-29(31,32)33/h4-7,10-15,24H,8-9,16H2,1-3H3,(H,34,41)(H,37,42)
InChIKeyBSBZPHKWOOZTDV-UHFFFAOYSA-N
MW633.03 g/mol
LogP4.57
Rot. Bonds11

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

5-[[2-[4-[5-chloro-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide (PubChem CID 135211552) has the molecular formula C29H28ClF3N6O5 and a molecular weight of 633.03 g/mol. Its IUPAC name is 5-[[2-[4-[5-chloro-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[2-[4-[5-chloro-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide
PubChem CID135211552
Molecular FormulaC29H28ClF3N6O5
Molecular Weight633.03 g/mol
Exact Mass632.18
IUPAC Name5-[[2-[4-[5-chloro-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-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-c3cnn(CC(F)(F)F)c3)cc2=O)cn1
InChIInChI=1S/C29H28ClF3N6O5/c1-34-27(41)23-7-5-19(13-35-23)37-28(42)24(8-9-43-2)39-15-25(44-3)22(11-26(39)40)21-10-18(30)4-6-20(21)17-12-36-38(14-17)16-29(31,32)33/h4-7,10-15,24H,8-9,16H2,1-3H3,(H,34,41)(H,37,42)
InChIKeyBSBZPHKWOOZTDV-UHFFFAOYSA-N
XLogP4.57
TPSA129.37 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500633.03
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Related Compounds

N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2-chloro-3-fluorophenyl)-5-fluoropicolinamide
CID 73438465
N-[5-[(2S,5R,6S)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-6-(4-chloro-2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 90072295
N-[5-[(2S,5R,6S)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-6-(4-chloro-2-fluorophenyl)-5-fluoropyridine-2-carboxamide
CID 90072334
US10167280, Example 53
CID 118981673
US10167280, Example 48
CID 121245875
US10167280, Example 41
CID 121245973
US10167280, Example 46
CID 121245974
US10167280, Example 47
CID 121245982
US10167280, Example 31
CID 121245983
US10167280, Example 49
CID 121245986
US10167280, Example 50
CID 121245987
US10167280, Example 7
CID 121246011

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[4-[5-chloro-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-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-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide (CID 135211552) is 5-[[2-[4-[5-chloro-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-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-[1-(2,2,2-trifluoroethyl)pyrazol-4-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-[1-(2,2,2-trifluoroethyl)pyrazol-4-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-c3cnn(CC(F)(F)F)c3)cc2=O)cn1.
What is the InChIKey of 5-[[2-[4-[5-chloro-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide?
The InChIKey is BSBZPHKWOOZTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF3N6O5/c1-34-27(41)23-7-5-19(13-35-23)37-28(42)24(8-9-43-2)39-15-25(44-3)22(11-26(39)40)21-10-18(30)4-6-20(21)17-12-36-38(14-17)16-29(31,32)33/h4-7,10-15,24H,8-9,16H2,1-3H3,(H,34,41)(H,37,42).
What are the key properties of 5-[[2-[4-[5-chloro-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide?
5-[[2-[4-[5-chloro-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide has a molecular weight of 633.03 g/mol, XLogP of 4.57, 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-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 135211552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).