2-methoxy-N-[4-[4-[[2-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]acetamide

C35H32N6O4 — CID 123373335

IUPAC2-methoxy-N-[4-[4-[[2-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]acetamide
SMILESCOCC(=O)Nc1cc(Oc2ccc(NC(=O)NC3CC(c4ccccc4)=NN3c3ccc(C)cc3)c3ccccc23)ccn1
InChIInChI=1S/C35H32N6O4/c1-23-12-14-25(15-13-23)41-33(21-30(40-41)24-8-4-3-5-9-24)39-35(43)37-29-16-17-31(28-11-7-6-10-27(28)29)45-26-18-19-36-32(20-26)38-34(42)22-44-2/h3-20,33H,21-22H2,1-2H3,(H,36,38,42)(H2,37,39,43)
InChIKeyGFPBEZVDUVIJBR-UHFFFAOYSA-N
MW600.68 g/mol
LogP6.68
Rot. Bonds9

About 2-methoxy-N-[4-[4-[[2-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]acetamide

2-methoxy-N-[4-[4-[[2-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]acetamide (PubChem CID 123373335) has the molecular formula C35H32N6O4 and a molecular weight of 600.68 g/mol. Its IUPAC name is 2-methoxy-N-[4-[4-[[2-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[4-[4-[[2-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]acetamide
PubChem CID123373335
Molecular FormulaC35H32N6O4
Molecular Weight600.68 g/mol
Exact Mass600.25
IUPAC Name2-methoxy-N-[4-[4-[[2-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]acetamide
SMILESCOCC(=O)Nc1cc(Oc2ccc(NC(=O)NC3CC(c4ccccc4)=NN3c3ccc(C)cc3)c3ccccc23)ccn1
InChIInChI=1S/C35H32N6O4/c1-23-12-14-25(15-13-23)41-33(21-30(40-41)24-8-4-3-5-9-24)39-35(43)37-29-16-17-31(28-11-7-6-10-27(28)29)45-26-18-19-36-32(20-26)38-34(42)22-44-2/h3-20,33H,21-22H2,1-2H3,(H,36,38,42)(H2,37,39,43)
InChIKeyGFPBEZVDUVIJBR-UHFFFAOYSA-N
XLogP6.68
TPSA117.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.68
LogP ≤ 56.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-[4-[[2-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]acetamide?
The IUPAC name of 2-methoxy-N-[4-[4-[[2-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]acetamide (CID 123373335) is 2-methoxy-N-[4-[4-[[2-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[4-[4-[[2-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]acetamide?
The canonical SMILES for 2-methoxy-N-[4-[4-[[2-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]acetamide is COCC(=O)Nc1cc(Oc2ccc(NC(=O)NC3CC(c4ccccc4)=NN3c3ccc(C)cc3)c3ccccc23)ccn1.
What is the InChIKey of 2-methoxy-N-[4-[4-[[2-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]acetamide?
The InChIKey is GFPBEZVDUVIJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32N6O4/c1-23-12-14-25(15-13-23)41-33(21-30(40-41)24-8-4-3-5-9-24)39-35(43)37-29-16-17-31(28-11-7-6-10-27(28)29)45-26-18-19-36-32(20-26)38-34(42)22-44-2/h3-20,33H,21-22H2,1-2H3,(H,36,38,42)(H2,37,39,43).
What are the key properties of 2-methoxy-N-[4-[4-[[2-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]acetamide?
2-methoxy-N-[4-[4-[[2-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]acetamide has a molecular weight of 600.68 g/mol, XLogP of 6.68, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-[4-[[2-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]acetamide is sourced from PubChem (CID 123373335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).