2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-deuterio-3-methylindazol-5-yl)butanamide

C26H23Cl2N7O3 — CID 175163952

IUPAC2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-deuterio-3-methylindazol-5-yl)butanamide
SMILES[2H]n1nc2ccc(NC(=O)C(CC)n3cc(OC)c(-c4cc(Cl)ccc4-n4cc(Cl)nn4)cc3=O)cc2c1C
InChIInChI=1S/C26H23Cl2N7O3/c1-4-21(26(37)29-16-6-7-20-17(10-16)14(2)30-31-20)34-12-23(38-3)19(11-25(34)36)18-9-15(27)5-8-22(18)35-13-24(28)32-33-35/h5-13,21H,4H2,1-3H3,(H,29,37)(H,30,31)/i/hD
InChIKeyRYCUQXIBIQLVTK-DYCDLGHISA-N
MW553.43 g/mol
LogP5.19
Rot. Bonds7

About 2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-deuterio-3-methylindazol-5-yl)butanamide

2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-deuterio-3-methylindazol-5-yl)butanamide (PubChem CID 175163952) has the molecular formula C26H23Cl2N7O3 and a molecular weight of 553.43 g/mol. Its IUPAC name is 2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-deuterio-3-methylindazol-5-yl)butanamide.

Molecular Properties

Compound Name2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-deuterio-3-methylindazol-5-yl)butanamide
PubChem CID175163952
Molecular FormulaC26H23Cl2N7O3
Molecular Weight553.43 g/mol
Exact Mass552.13
IUPAC Name2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-deuterio-3-methylindazol-5-yl)butanamide
SMILES[2H]n1nc2ccc(NC(=O)C(CC)n3cc(OC)c(-c4cc(Cl)ccc4-n4cc(Cl)nn4)cc3=O)cc2c1C
InChIInChI=1S/C26H23Cl2N7O3/c1-4-21(26(37)29-16-6-7-20-17(10-16)14(2)30-31-20)34-12-23(38-3)19(11-25(34)36)18-9-15(27)5-8-22(18)35-13-24(28)32-33-35/h5-13,21H,4H2,1-3H3,(H,29,37)(H,30,31)/i/hD
InChIKeyRYCUQXIBIQLVTK-DYCDLGHISA-N
XLogP5.19
TPSA119.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.43
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-deuterio-3-methylindazol-5-yl)butanamide with MolForge

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Related Compounds

(2S)-2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide
CID 135206046
2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(2,2,2-trifluoroethyl)indazol-5-yl]butanamide
CID 135204990
2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4,4-difluoro-N-quinoxalin-6-ylbutanamide
CID 135205462
2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(difluoromethyl)indazol-5-yl]butanamide
CID 135205934
2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(4-diethylphosphorylphenyl)-3-phenylpropanamide
CID 162758302
4-[[(2S)-2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanoyl]amino]-2-fluorobenzoic acid
CID 168873663
(2S)-N-[4-(1-aminoethenyl)-3-fluorophenyl]-2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanamide
CID 157299395
(2S)-2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-6-oxopyrimidin-1-yl]-N-[2-(difluoromethyl)indazol-5-yl]butanamide
CID 168869203
4-[[2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-2-fluoroacetyl]amino]-2-fluorobenzoic acid
CID 175548688
2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-quinoxalin-6-ylhexanamide
CID 135205951
N-(7-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanamide
CID 171775895
2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(4-methylphenyl)butanamide
CID 138656592

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-deuterio-3-methylindazol-5-yl)butanamide?
The IUPAC name of 2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-deuterio-3-methylindazol-5-yl)butanamide (CID 175163952) is 2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-deuterio-3-methylindazol-5-yl)butanamide.
What is the SMILES notation for 2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-deuterio-3-methylindazol-5-yl)butanamide?
The canonical SMILES for 2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-deuterio-3-methylindazol-5-yl)butanamide is [2H]n1nc2ccc(NC(=O)C(CC)n3cc(OC)c(-c4cc(Cl)ccc4-n4cc(Cl)nn4)cc3=O)cc2c1C.
What is the InChIKey of 2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-deuterio-3-methylindazol-5-yl)butanamide?
The InChIKey is RYCUQXIBIQLVTK-DYCDLGHISA-N. The full InChI is InChI=1S/C26H23Cl2N7O3/c1-4-21(26(37)29-16-6-7-20-17(10-16)14(2)30-31-20)34-12-23(38-3)19(11-25(34)36)18-9-15(27)5-8-22(18)35-13-24(28)32-33-35/h5-13,21H,4H2,1-3H3,(H,29,37)(H,30,31)/i/hD.
What are the key properties of 2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-deuterio-3-methylindazol-5-yl)butanamide?
2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-deuterio-3-methylindazol-5-yl)butanamide has a molecular weight of 553.43 g/mol, XLogP of 5.19, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-deuterio-3-methylindazol-5-yl)butanamide is sourced from PubChem (CID 175163952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).